USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -111:sc= -0.643 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.05 K(o=-2.7,f=-8.5!) USER MOD Set 2.1: A 35 MET CE :methyl -148:sc= -2.33 (180deg=-4.93!) USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc=-0.000991 USER MOD Set 3.1: A 29 ASN : amide:sc= 0.864 K(o=1.7,f=0.67) USER MOD Set 3.2: A 32 THR OG1 : rot -155:sc= 0.822 USER MOD Set 4.1: A 17 HIS : no HD1:sc= 0.521 K(o=1.1,f=-2.3) USER MOD Set 4.2: A 20 LYS NZ :NH3+ -151:sc= 0.586 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc=-0.00362 X(o=-0.0036,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.178 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0337 (180deg=-0.309) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.37! C(o=-7.4!,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 22 THR OG1 : rot 54:sc= 0.238 USER MOD Single : A 25 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -35:sc= 0.873 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.00167 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 170:sc= -2.19! USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= -0.295 (180deg=-0.309) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 63 SER OG : rot 160:sc= -1.29! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -174:sc= -0.904 (180deg=-1.05) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.101 (180deg=-1.17) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0.141 (180deg=-0.111) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 86 HIS : no HE2:sc= -4.5! C(o=-4.5!,f=-7.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0378 USER MOD Single : A 93 THR OG1 : rot -85:sc= -2.2! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -6.47! C(o=-6.5!,f=-5.6!) USER MOD Single : A 106 TYR OH : rot 30:sc= -1.48 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 111 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.36) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc=-0.00971 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -6.449 -5.732 29.357 1.00 0.00 N ATOM 2 CA GLY A -2 -6.657 -6.697 28.242 1.00 0.00 C ATOM 3 C GLY A -2 -6.528 -8.139 28.691 1.00 0.00 C ATOM 4 O GLY A -2 -5.419 -8.641 28.879 1.00 0.00 O ATOM 0 H1 GLY A -2 -6.548 -4.761 28.998 1.00 0.00 H new ATOM 0 H2 GLY A -2 -7.158 -5.901 30.099 1.00 0.00 H new ATOM 0 H3 GLY A -2 -5.496 -5.860 29.753 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -7.646 -6.541 27.811 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -5.931 -6.499 27.454 1.00 0.00 H new ATOM 10 N SER A -1 -7.665 -8.807 28.864 1.00 0.00 N ATOM 11 CA SER A -1 -7.676 -10.201 29.293 1.00 0.00 C ATOM 12 C SER A -1 -8.845 -10.954 28.666 1.00 0.00 C ATOM 13 O SER A -1 -8.932 -12.179 28.765 1.00 0.00 O ATOM 14 CB SER A -1 -7.759 -10.286 30.818 1.00 0.00 C ATOM 15 OG SER A -1 -8.936 -9.662 31.301 1.00 0.00 O ATOM 0 H SER A -1 -8.590 -8.405 28.714 1.00 0.00 H new ATOM 0 HA SER A -1 -6.748 -10.665 28.960 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.744 -11.331 31.128 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.884 -9.810 31.260 1.00 0.00 H new ATOM 0 HG SER A -1 -8.966 -9.732 32.278 1.00 0.00 H new ATOM 21 N HIS A 0 -9.740 -10.214 28.021 1.00 0.00 N ATOM 22 CA HIS A 0 -10.905 -10.810 27.376 1.00 0.00 C ATOM 23 C HIS A 0 -11.294 -10.024 26.129 1.00 0.00 C ATOM 24 O HIS A 0 -11.561 -8.824 26.198 1.00 0.00 O ATOM 25 CB HIS A 0 -12.083 -10.862 28.353 1.00 0.00 C ATOM 26 CG HIS A 0 -13.294 -11.545 27.799 1.00 0.00 C ATOM 27 ND1 HIS A 0 -13.511 -12.902 27.914 1.00 0.00 N ATOM 28 CD2 HIS A 0 -14.361 -11.050 27.127 1.00 0.00 C ATOM 29 CE1 HIS A 0 -14.657 -13.213 27.335 1.00 0.00 C ATOM 30 NE2 HIS A 0 -15.193 -12.108 26.851 1.00 0.00 N ATOM 0 H HIS A 0 -9.681 -9.200 27.931 1.00 0.00 H new ATOM 0 HA HIS A 0 -10.647 -11.826 27.077 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -11.769 -11.378 29.260 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -12.350 -9.845 28.641 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -14.527 -10.017 26.858 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -15.083 -14.203 27.269 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -16.081 -12.049 26.353 1.00 0.00 H new ATOM 39 N MET A 1 -11.324 -10.709 24.989 1.00 0.00 N ATOM 40 CA MET A 1 -11.678 -10.072 23.724 1.00 0.00 C ATOM 41 C MET A 1 -13.153 -9.684 23.703 1.00 0.00 C ATOM 42 O MET A 1 -14.015 -10.457 24.120 1.00 0.00 O ATOM 43 CB MET A 1 -11.369 -11.004 22.550 1.00 0.00 C ATOM 44 CG MET A 1 -9.887 -11.298 22.370 1.00 0.00 C ATOM 45 SD MET A 1 -9.207 -12.311 23.698 1.00 0.00 S ATOM 46 CE MET A 1 -7.500 -12.450 23.176 1.00 0.00 C ATOM 0 H MET A 1 -11.108 -11.703 24.915 1.00 0.00 H new ATOM 0 HA MET A 1 -11.080 -9.166 23.626 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.901 -11.944 22.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.755 -10.558 21.633 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.736 -11.806 21.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.338 -10.357 22.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.947 -13.051 23.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.457 -12.928 22.197 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.056 -11.456 23.115 1.00 0.00 H new ATOM 56 N ILE A 2 -13.433 -8.482 23.213 1.00 0.00 N ATOM 57 CA ILE A 2 -14.802 -7.986 23.135 1.00 0.00 C ATOM 58 C ILE A 2 -15.513 -8.535 21.900 1.00 0.00 C ATOM 59 O ILE A 2 -16.742 -8.514 21.817 1.00 0.00 O ATOM 60 CB ILE A 2 -14.836 -6.444 23.101 1.00 0.00 C ATOM 61 CG1 ILE A 2 -16.281 -5.937 23.127 1.00 0.00 C ATOM 62 CG2 ILE A 2 -14.106 -5.926 21.870 1.00 0.00 C ATOM 63 CD1 ILE A 2 -16.396 -4.432 23.253 1.00 0.00 C ATOM 0 H ILE A 2 -12.729 -7.832 22.863 1.00 0.00 H new ATOM 0 HA ILE A 2 -15.321 -8.331 24.029 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.327 -6.066 23.988 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -16.785 -6.256 22.215 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.806 -6.404 23.961 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.138 -4.837 21.859 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.068 -6.258 21.896 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -14.588 -6.312 20.972 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -17.448 -4.147 23.265 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.922 -4.107 24.179 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.901 -3.957 22.406 1.00 0.00 H new ATOM 75 N ALA A 3 -14.733 -9.035 20.947 1.00 0.00 N ATOM 76 CA ALA A 3 -15.287 -9.586 19.715 1.00 0.00 C ATOM 77 C ALA A 3 -14.247 -10.390 18.931 1.00 0.00 C ATOM 78 O ALA A 3 -14.517 -11.523 18.530 1.00 0.00 O ATOM 79 CB ALA A 3 -15.870 -8.476 18.849 1.00 0.00 C ATOM 0 H ALA A 3 -13.715 -9.070 21.004 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.087 -10.272 19.994 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.279 -8.905 17.934 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.663 -7.966 19.396 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.086 -7.762 18.596 1.00 0.00 H new ATOM 85 N PRO A 4 -13.042 -9.824 18.693 1.00 0.00 N ATOM 86 CA PRO A 4 -11.982 -10.519 17.951 1.00 0.00 C ATOM 87 C PRO A 4 -11.733 -11.931 18.472 1.00 0.00 C ATOM 88 O PRO A 4 -11.401 -12.121 19.642 1.00 0.00 O ATOM 89 CB PRO A 4 -10.753 -9.641 18.182 1.00 0.00 C ATOM 90 CG PRO A 4 -11.304 -8.277 18.411 1.00 0.00 C ATOM 91 CD PRO A 4 -12.615 -8.475 19.122 1.00 0.00 C ATOM 0 HA PRO A 4 -12.241 -10.648 16.900 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.176 -9.985 19.040 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.085 -9.659 17.321 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.621 -7.676 19.011 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.447 -7.750 17.468 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.497 -8.417 20.204 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.343 -7.715 18.839 1.00 0.00 H new ATOM 99 N LEU A 5 -11.899 -12.917 17.596 1.00 0.00 N ATOM 100 CA LEU A 5 -11.694 -14.313 17.965 1.00 0.00 C ATOM 101 C LEU A 5 -10.228 -14.709 17.807 1.00 0.00 C ATOM 102 O LEU A 5 -9.541 -14.984 18.790 1.00 0.00 O ATOM 103 CB LEU A 5 -12.578 -15.223 17.108 1.00 0.00 C ATOM 104 CG LEU A 5 -12.484 -16.716 17.432 1.00 0.00 C ATOM 105 CD1 LEU A 5 -12.893 -16.980 18.873 1.00 0.00 C ATOM 106 CD2 LEU A 5 -13.351 -17.522 16.475 1.00 0.00 C ATOM 0 H LEU A 5 -12.175 -12.775 16.625 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.971 -14.431 19.013 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.615 -14.907 17.222 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.314 -15.078 16.061 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.447 -17.030 17.309 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.819 -18.047 19.083 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.233 -16.432 19.545 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.921 -16.651 19.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.273 -18.582 16.718 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.389 -17.203 16.568 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.012 -17.359 15.452 1.00 0.00 H new ATOM 118 N SER A 6 -9.759 -14.735 16.564 1.00 0.00 N ATOM 119 CA SER A 6 -8.375 -15.097 16.277 1.00 0.00 C ATOM 120 C SER A 6 -7.470 -13.871 16.347 1.00 0.00 C ATOM 121 O SER A 6 -7.943 -12.747 16.512 1.00 0.00 O ATOM 122 CB SER A 6 -8.272 -15.744 14.894 1.00 0.00 C ATOM 123 OG SER A 6 -6.942 -16.145 14.614 1.00 0.00 O ATOM 0 H SER A 6 -10.316 -14.510 15.740 1.00 0.00 H new ATOM 0 HA SER A 6 -8.047 -15.813 17.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.934 -16.609 14.844 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.610 -15.040 14.134 1.00 0.00 H new ATOM 0 HG SER A 6 -6.905 -16.557 13.725 1.00 0.00 H new ATOM 129 N VAL A 7 -6.165 -14.096 16.224 1.00 0.00 N ATOM 130 CA VAL A 7 -5.195 -13.009 16.275 1.00 0.00 C ATOM 131 C VAL A 7 -5.054 -12.336 14.911 1.00 0.00 C ATOM 132 O VAL A 7 -5.035 -13.004 13.877 1.00 0.00 O ATOM 133 CB VAL A 7 -3.813 -13.510 16.745 1.00 0.00 C ATOM 134 CG1 VAL A 7 -3.233 -14.504 15.750 1.00 0.00 C ATOM 135 CG2 VAL A 7 -2.863 -12.341 16.961 1.00 0.00 C ATOM 0 H VAL A 7 -5.756 -15.021 16.088 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.568 -12.281 16.996 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.941 -14.023 17.698 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.259 -14.844 16.101 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.903 -15.358 15.656 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.121 -14.023 14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.894 -12.716 17.292 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.740 -11.794 16.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.273 -11.674 17.720 1.00 0.00 H new ATOM 145 N LYS A 8 -4.962 -11.009 14.917 1.00 0.00 N ATOM 146 CA LYS A 8 -4.826 -10.245 13.682 1.00 0.00 C ATOM 147 C LYS A 8 -3.409 -9.719 13.524 1.00 0.00 C ATOM 148 O LYS A 8 -3.186 -8.682 12.898 1.00 0.00 O ATOM 149 CB LYS A 8 -5.809 -9.077 13.662 1.00 0.00 C ATOM 150 CG LYS A 8 -7.244 -9.483 13.360 1.00 0.00 C ATOM 151 CD LYS A 8 -7.804 -10.401 14.435 1.00 0.00 C ATOM 152 CE LYS A 8 -9.227 -10.829 14.117 1.00 0.00 C ATOM 153 NZ LYS A 8 -9.311 -11.563 12.824 1.00 0.00 N ATOM 0 H LYS A 8 -4.979 -10.441 15.764 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.048 -10.914 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.780 -8.574 14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.482 -8.353 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.866 -8.591 13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.285 -9.986 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.170 -11.283 14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.783 -9.890 15.398 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.603 -11.463 14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.870 -9.950 14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.233 -12.039 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.208 -10.892 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.551 -12.272 12.777 1.00 0.00 H new ATOM 167 N ASP A 9 -2.461 -10.446 14.099 1.00 0.00 N ATOM 168 CA ASP A 9 -1.046 -10.078 14.038 1.00 0.00 C ATOM 169 C ASP A 9 -0.709 -9.444 12.694 1.00 0.00 C ATOM 170 O ASP A 9 -0.900 -10.055 11.642 1.00 0.00 O ATOM 171 CB ASP A 9 -0.166 -11.307 14.267 1.00 0.00 C ATOM 172 CG ASP A 9 1.305 -10.956 14.360 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.982 -10.949 13.310 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.781 -10.684 15.483 1.00 0.00 O ATOM 0 H ASP A 9 -2.646 -11.304 14.619 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.852 -9.349 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.476 -11.806 15.185 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.317 -12.015 13.452 1.00 0.00 H new ATOM 179 N ASN A 10 -0.205 -8.217 12.738 1.00 0.00 N ATOM 180 CA ASN A 10 0.137 -7.488 11.527 1.00 0.00 C ATOM 181 C ASN A 10 1.619 -7.146 11.452 1.00 0.00 C ATOM 182 O ASN A 10 2.415 -7.907 10.901 1.00 0.00 O ATOM 183 CB ASN A 10 -0.690 -6.210 11.450 1.00 0.00 C ATOM 184 CG ASN A 10 -1.215 -5.765 12.802 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.277 -6.204 13.245 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.476 -4.880 13.462 1.00 0.00 N ATOM 0 H ASN A 10 -0.024 -7.706 13.602 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.089 -8.137 10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.080 -5.414 11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.530 -6.367 10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.782 -4.538 14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.398 -4.543 13.058 1.00 0.00 H new ATOM 193 N ASP A 11 1.964 -5.989 12.005 1.00 0.00 N ATOM 194 CA ASP A 11 3.329 -5.489 12.012 1.00 0.00 C ATOM 195 C ASP A 11 4.354 -6.614 12.083 1.00 0.00 C ATOM 196 O ASP A 11 4.626 -7.162 13.149 1.00 0.00 O ATOM 197 CB ASP A 11 3.523 -4.523 13.179 1.00 0.00 C ATOM 198 CG ASP A 11 2.794 -4.974 14.432 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.186 -6.010 15.007 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.829 -4.292 14.833 1.00 0.00 O ATOM 0 H ASP A 11 1.297 -5.368 12.464 1.00 0.00 H new ATOM 0 HA ASP A 11 3.492 -4.964 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.587 -4.428 13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.167 -3.534 12.891 1.00 0.00 H new ATOM 205 N LYS A 12 4.903 -6.957 10.925 1.00 0.00 N ATOM 206 CA LYS A 12 5.911 -8.005 10.833 1.00 0.00 C ATOM 207 C LYS A 12 7.316 -7.407 10.903 1.00 0.00 C ATOM 208 O LYS A 12 8.028 -7.324 9.903 1.00 0.00 O ATOM 209 CB LYS A 12 5.730 -8.805 9.543 1.00 0.00 C ATOM 210 CG LYS A 12 5.669 -7.947 8.294 1.00 0.00 C ATOM 211 CD LYS A 12 5.682 -8.797 7.032 1.00 0.00 C ATOM 212 CE LYS A 12 7.029 -9.472 6.828 1.00 0.00 C ATOM 213 NZ LYS A 12 7.058 -10.292 5.586 1.00 0.00 N ATOM 0 H LYS A 12 4.666 -6.523 10.033 1.00 0.00 H new ATOM 0 HA LYS A 12 5.786 -8.681 11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.554 -9.512 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.814 -9.391 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.766 -7.337 8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.516 -7.261 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.900 -9.554 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.453 -8.172 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.811 -8.714 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.251 -10.106 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.993 -10.735 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.329 -11.032 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.872 -9.683 4.764 1.00 0.00 H new ATOM 227 N TRP A 13 7.688 -6.987 12.104 1.00 0.00 N ATOM 228 CA TRP A 13 8.989 -6.388 12.367 1.00 0.00 C ATOM 229 C TRP A 13 10.111 -7.247 11.794 1.00 0.00 C ATOM 230 O TRP A 13 10.456 -8.286 12.359 1.00 0.00 O ATOM 231 CB TRP A 13 9.150 -6.207 13.882 1.00 0.00 C ATOM 232 CG TRP A 13 7.855 -5.854 14.566 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.880 -6.725 14.965 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.386 -4.545 14.921 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.825 -6.039 15.516 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.112 -4.700 15.506 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.913 -3.257 14.796 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.359 -3.615 15.959 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.169 -2.185 15.252 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.904 -2.368 15.824 1.00 0.00 C ATOM 0 H TRP A 13 7.092 -7.053 12.929 1.00 0.00 H new ATOM 0 HA TRP A 13 9.049 -5.416 11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.545 -7.127 14.314 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.883 -5.424 14.074 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.932 -7.799 14.862 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.967 -6.459 15.874 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.885 -3.102 14.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.383 -3.755 16.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.571 -1.186 15.165 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.348 -1.507 16.165 1.00 0.00 H new ATOM 251 N VAL A 14 10.686 -6.812 10.664 1.00 0.00 N ATOM 252 CA VAL A 14 11.757 -7.581 10.022 1.00 0.00 C ATOM 253 C VAL A 14 12.784 -6.690 9.337 1.00 0.00 C ATOM 254 O VAL A 14 12.728 -5.466 9.426 1.00 0.00 O ATOM 255 CB VAL A 14 11.194 -8.571 8.980 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.305 -9.610 9.646 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.437 -7.829 7.888 1.00 0.00 C ATOM 0 H VAL A 14 10.433 -5.948 10.184 1.00 0.00 H new ATOM 0 HA VAL A 14 12.249 -8.129 10.826 1.00 0.00 H new ATOM 0 HB VAL A 14 12.032 -9.092 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.920 -10.296 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.885 -10.167 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.472 -9.112 10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.048 -8.545 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.609 -7.275 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.111 -7.134 7.386 1.00 0.00 H new ATOM 267 N ASP A 15 13.725 -7.340 8.655 1.00 0.00 N ATOM 268 CA ASP A 15 14.794 -6.655 7.938 1.00 0.00 C ATOM 269 C ASP A 15 14.613 -6.806 6.429 1.00 0.00 C ATOM 270 O ASP A 15 13.667 -7.452 5.977 1.00 0.00 O ATOM 271 CB ASP A 15 16.140 -7.238 8.367 1.00 0.00 C ATOM 272 CG ASP A 15 16.668 -6.614 9.642 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.081 -6.868 10.714 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.672 -5.875 9.570 1.00 0.00 O ATOM 0 H ASP A 15 13.766 -8.357 8.585 1.00 0.00 H new ATOM 0 HA ASP A 15 14.761 -5.592 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.036 -8.314 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.866 -7.091 7.568 1.00 0.00 H new ATOM 279 N THR A 16 15.524 -6.218 5.650 1.00 0.00 N ATOM 280 CA THR A 16 15.440 -6.301 4.192 1.00 0.00 C ATOM 281 C THR A 16 16.624 -5.617 3.510 1.00 0.00 C ATOM 282 O THR A 16 17.572 -5.188 4.167 1.00 0.00 O ATOM 283 CB THR A 16 14.137 -5.659 3.677 1.00 0.00 C ATOM 284 OG1 THR A 16 13.825 -6.158 2.371 1.00 0.00 O ATOM 285 CG2 THR A 16 14.253 -4.144 3.629 1.00 0.00 C ATOM 0 H THR A 16 16.320 -5.685 6.000 1.00 0.00 H new ATOM 0 HA THR A 16 15.455 -7.362 3.943 1.00 0.00 H new ATOM 0 HB THR A 16 13.337 -5.922 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.995 -5.746 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.319 -3.719 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.457 -3.763 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.067 -3.862 2.961 1.00 0.00 H new ATOM 293 N HIS A 17 16.552 -5.523 2.183 1.00 0.00 N ATOM 294 CA HIS A 17 17.598 -4.884 1.394 1.00 0.00 C ATOM 295 C HIS A 17 17.025 -3.688 0.636 1.00 0.00 C ATOM 296 O HIS A 17 15.907 -3.260 0.905 1.00 0.00 O ATOM 297 CB HIS A 17 18.218 -5.881 0.415 1.00 0.00 C ATOM 298 CG HIS A 17 18.770 -7.106 1.077 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.048 -8.272 1.227 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.983 -7.344 1.630 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.792 -9.172 1.843 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.971 -8.634 2.098 1.00 0.00 N ATOM 0 H HIS A 17 15.774 -5.885 1.631 1.00 0.00 H new ATOM 0 HA HIS A 17 18.378 -4.535 2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.464 -6.180 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.016 -5.386 -0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.807 -6.648 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.488 -10.177 2.095 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.747 -9.102 2.567 1.00 0.00 H new ATOM 311 N VAL A 18 17.785 -3.160 -0.319 1.00 0.00 N ATOM 312 CA VAL A 18 17.337 -2.004 -1.092 1.00 0.00 C ATOM 313 C VAL A 18 16.454 -2.406 -2.271 1.00 0.00 C ATOM 314 O VAL A 18 16.712 -3.399 -2.951 1.00 0.00 O ATOM 315 CB VAL A 18 18.530 -1.183 -1.618 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.046 0.100 -2.279 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.507 -0.880 -0.494 1.00 0.00 C ATOM 0 H VAL A 18 18.708 -3.511 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 18 16.748 -1.393 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 18 19.052 -1.775 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.903 0.667 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.391 -0.146 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.498 0.699 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.343 -0.300 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.001 -0.309 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.879 -1.814 -0.074 1.00 0.00 H new ATOM 327 N GLY A 19 15.410 -1.613 -2.496 1.00 0.00 N ATOM 328 CA GLY A 19 14.484 -1.857 -3.589 1.00 0.00 C ATOM 329 C GLY A 19 13.835 -3.224 -3.544 1.00 0.00 C ATOM 330 O GLY A 19 13.239 -3.652 -4.530 1.00 0.00 O ATOM 0 H GLY A 19 15.187 -0.794 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.705 -1.094 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.015 -1.748 -4.535 1.00 0.00 H new ATOM 334 N LYS A 20 13.959 -3.917 -2.416 1.00 0.00 N ATOM 335 CA LYS A 20 13.349 -5.229 -2.268 1.00 0.00 C ATOM 336 C LYS A 20 11.840 -5.118 -2.445 1.00 0.00 C ATOM 337 O LYS A 20 11.094 -5.020 -1.471 1.00 0.00 O ATOM 338 CB LYS A 20 13.681 -5.819 -0.898 1.00 0.00 C ATOM 339 CG LYS A 20 13.902 -7.316 -0.920 1.00 0.00 C ATOM 340 CD LYS A 20 15.301 -7.627 -1.393 1.00 0.00 C ATOM 341 CE LYS A 20 15.717 -9.044 -1.032 1.00 0.00 C ATOM 342 NZ LYS A 20 17.103 -9.350 -1.481 1.00 0.00 N ATOM 0 H LYS A 20 14.473 -3.592 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 20 13.748 -5.894 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.577 -5.334 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.870 -5.590 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.747 -7.729 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.174 -7.789 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.357 -7.496 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.001 -6.919 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.648 -9.178 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.024 -9.752 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.187 -10.368 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.315 -8.812 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.776 -9.085 -0.734 1.00 0.00 H new ATOM 356 N THR A 21 11.402 -5.120 -3.701 1.00 0.00 N ATOM 357 CA THR A 21 9.987 -4.998 -4.021 1.00 0.00 C ATOM 358 C THR A 21 9.163 -6.052 -3.300 1.00 0.00 C ATOM 359 O THR A 21 9.084 -7.202 -3.735 1.00 0.00 O ATOM 360 CB THR A 21 9.738 -5.116 -5.536 1.00 0.00 C ATOM 361 OG1 THR A 21 10.744 -4.395 -6.257 1.00 0.00 O ATOM 362 CG2 THR A 21 8.364 -4.572 -5.896 1.00 0.00 C ATOM 0 H THR A 21 12.011 -5.205 -4.515 1.00 0.00 H new ATOM 0 HA THR A 21 9.676 -4.009 -3.685 1.00 0.00 H new ATOM 0 HB THR A 21 9.782 -6.170 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.579 -4.477 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.206 -4.664 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.598 -5.139 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.301 -3.522 -5.609 1.00 0.00 H new ATOM 370 N THR A 22 8.550 -5.654 -2.192 1.00 0.00 N ATOM 371 CA THR A 22 7.726 -6.561 -1.410 1.00 0.00 C ATOM 372 C THR A 22 6.264 -6.433 -1.802 1.00 0.00 C ATOM 373 O THR A 22 5.579 -5.490 -1.400 1.00 0.00 O ATOM 374 CB THR A 22 7.879 -6.302 0.102 1.00 0.00 C ATOM 375 OG1 THR A 22 9.237 -6.519 0.501 1.00 0.00 O ATOM 376 CG2 THR A 22 6.959 -7.209 0.909 1.00 0.00 C ATOM 0 H THR A 22 8.609 -4.708 -1.816 1.00 0.00 H new ATOM 0 HA THR A 22 8.068 -7.574 -1.624 1.00 0.00 H new ATOM 0 HB THR A 22 7.601 -5.266 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.832 -5.975 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.088 -7.005 1.972 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.923 -7.021 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.207 -8.251 0.707 1.00 0.00 H new ATOM 384 N GLU A 23 5.804 -7.383 -2.607 1.00 0.00 N ATOM 385 CA GLU A 23 4.432 -7.413 -3.065 1.00 0.00 C ATOM 386 C GLU A 23 3.541 -8.083 -2.035 1.00 0.00 C ATOM 387 O GLU A 23 3.844 -9.175 -1.554 1.00 0.00 O ATOM 388 CB GLU A 23 4.353 -8.166 -4.385 1.00 0.00 C ATOM 389 CG GLU A 23 2.986 -8.093 -5.032 1.00 0.00 C ATOM 390 CD GLU A 23 2.984 -8.621 -6.454 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.016 -9.858 -6.628 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.951 -7.798 -7.392 1.00 0.00 O ATOM 0 H GLU A 23 6.376 -8.151 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 23 4.086 -6.389 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.095 -7.760 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.613 -9.211 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.275 -8.664 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.643 -7.058 -5.032 1.00 0.00 H new ATOM 399 N ILE A 24 2.442 -7.426 -1.699 1.00 0.00 N ATOM 400 CA ILE A 24 1.519 -7.963 -0.719 1.00 0.00 C ATOM 401 C ILE A 24 0.070 -7.809 -1.150 1.00 0.00 C ATOM 402 O ILE A 24 -0.508 -6.728 -1.046 1.00 0.00 O ATOM 403 CB ILE A 24 1.702 -7.275 0.639 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.163 -7.365 1.078 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.779 -7.900 1.676 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.445 -6.712 2.412 1.00 0.00 C ATOM 0 H ILE A 24 2.171 -6.524 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 24 1.747 -9.025 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 24 1.438 -6.222 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.452 -8.415 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.790 -6.899 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.919 -7.402 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.257 -7.787 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.013 -8.960 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.503 -6.818 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.189 -5.654 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.847 -7.192 3.186 1.00 0.00 H new ATOM 418 N HIS A 25 -0.503 -8.894 -1.648 1.00 0.00 N ATOM 419 CA HIS A 25 -1.894 -8.899 -2.059 1.00 0.00 C ATOM 420 C HIS A 25 -2.770 -9.099 -0.832 1.00 0.00 C ATOM 421 O HIS A 25 -2.798 -10.182 -0.245 1.00 0.00 O ATOM 422 CB HIS A 25 -2.159 -10.010 -3.072 1.00 0.00 C ATOM 423 CG HIS A 25 -1.051 -10.206 -4.059 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.333 -11.379 -4.162 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.544 -9.373 -4.998 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.567 -11.258 -5.122 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.460 -10.051 -5.645 1.00 0.00 N ATOM 0 H HIS A 25 -0.022 -9.784 -1.777 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.127 -7.946 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.325 -10.945 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.078 -9.784 -3.612 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.474 -12.210 -3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.869 -8.363 -5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.271 -12.018 -5.427 1.00 0.00 H new ATOM 436 N LEU A 26 -3.480 -8.053 -0.449 1.00 0.00 N ATOM 437 CA LEU A 26 -4.337 -8.103 0.726 1.00 0.00 C ATOM 438 C LEU A 26 -5.794 -8.205 0.316 1.00 0.00 C ATOM 439 O LEU A 26 -6.178 -7.744 -0.754 1.00 0.00 O ATOM 440 CB LEU A 26 -4.129 -6.853 1.580 1.00 0.00 C ATOM 441 CG LEU A 26 -2.686 -6.588 2.018 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.519 -5.135 2.439 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.288 -7.517 3.156 1.00 0.00 C ATOM 0 H LEU A 26 -3.481 -7.156 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.073 -8.985 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.485 -5.988 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.752 -6.935 2.471 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.030 -6.785 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.488 -4.962 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.761 -4.483 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.188 -4.918 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.259 -7.311 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.949 -7.354 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.370 -8.553 2.826 1.00 0.00 H new ATOM 455 N LYS A 27 -6.605 -8.804 1.169 1.00 0.00 N ATOM 456 CA LYS A 27 -8.022 -8.951 0.880 1.00 0.00 C ATOM 457 C LYS A 27 -8.843 -8.031 1.768 1.00 0.00 C ATOM 458 O LYS A 27 -8.379 -7.582 2.816 1.00 0.00 O ATOM 459 CB LYS A 27 -8.465 -10.400 1.065 1.00 0.00 C ATOM 460 CG LYS A 27 -7.465 -11.409 0.521 1.00 0.00 C ATOM 461 CD LYS A 27 -8.044 -12.814 0.502 1.00 0.00 C ATOM 462 CE LYS A 27 -7.049 -13.820 -0.054 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.612 -15.198 -0.088 1.00 0.00 N ATOM 0 H LYS A 27 -6.310 -9.195 2.064 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.188 -8.672 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.623 -10.592 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.424 -10.546 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.170 -11.122 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.563 -11.395 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.330 -13.104 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.951 -12.826 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.756 -13.523 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.146 -13.812 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.902 -15.853 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.868 -15.492 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.460 -15.212 -0.691 1.00 0.00 H new ATOM 477 N GLY A 28 -10.063 -7.754 1.339 1.00 0.00 N ATOM 478 CA GLY A 28 -10.932 -6.873 2.092 1.00 0.00 C ATOM 479 C GLY A 28 -12.269 -6.669 1.410 1.00 0.00 C ATOM 480 O GLY A 28 -13.308 -6.610 2.067 1.00 0.00 O ATOM 0 H GLY A 28 -10.469 -8.124 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.093 -7.288 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.442 -5.908 2.224 1.00 0.00 H new ATOM 484 N ASN A 29 -12.231 -6.555 0.084 1.00 0.00 N ATOM 485 CA ASN A 29 -13.438 -6.359 -0.716 1.00 0.00 C ATOM 486 C ASN A 29 -14.086 -5.010 -0.406 1.00 0.00 C ATOM 487 O ASN A 29 -14.640 -4.817 0.676 1.00 0.00 O ATOM 488 CB ASN A 29 -14.440 -7.488 -0.463 1.00 0.00 C ATOM 489 CG ASN A 29 -15.581 -7.483 -1.461 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.520 -8.150 -2.494 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.629 -6.724 -1.161 1.00 0.00 N ATOM 0 H ASN A 29 -11.371 -6.595 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.148 -6.372 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.923 -8.446 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.843 -7.393 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.424 -6.678 -1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.638 -6.187 -0.294 1.00 0.00 H new ATOM 498 N PRO A 30 -14.024 -4.051 -1.352 1.00 0.00 N ATOM 499 CA PRO A 30 -14.615 -2.719 -1.168 1.00 0.00 C ATOM 500 C PRO A 30 -16.097 -2.777 -0.817 1.00 0.00 C ATOM 501 O PRO A 30 -16.691 -3.854 -0.751 1.00 0.00 O ATOM 502 CB PRO A 30 -14.423 -2.051 -2.531 1.00 0.00 C ATOM 503 CG PRO A 30 -13.261 -2.754 -3.132 1.00 0.00 C ATOM 504 CD PRO A 30 -13.365 -4.178 -2.666 1.00 0.00 C ATOM 0 HA PRO A 30 -14.147 -2.184 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.313 -2.154 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.229 -0.984 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.287 -2.695 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.322 -2.304 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.952 -4.786 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.385 -4.648 -2.582 1.00 0.00 H new ATOM 512 N THR A 31 -16.685 -1.603 -0.603 1.00 0.00 N ATOM 513 CA THR A 31 -18.094 -1.492 -0.258 1.00 0.00 C ATOM 514 C THR A 31 -18.485 -2.467 0.852 1.00 0.00 C ATOM 515 O THR A 31 -19.650 -2.850 0.970 1.00 0.00 O ATOM 516 CB THR A 31 -18.982 -1.741 -1.485 1.00 0.00 C ATOM 517 OG1 THR A 31 -19.071 -3.145 -1.756 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.431 -1.020 -2.707 1.00 0.00 C ATOM 0 H THR A 31 -16.199 -0.708 -0.664 1.00 0.00 H new ATOM 0 HA THR A 31 -18.250 -0.475 0.102 1.00 0.00 H new ATOM 0 HB THR A 31 -19.976 -1.351 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.219 -3.576 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.077 -1.211 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.395 0.052 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.426 -1.384 -2.922 1.00 0.00 H new ATOM 526 N THR A 32 -17.509 -2.858 1.666 1.00 0.00 N ATOM 527 CA THR A 32 -17.756 -3.787 2.763 1.00 0.00 C ATOM 528 C THR A 32 -17.454 -3.138 4.110 1.00 0.00 C ATOM 529 O THR A 32 -18.332 -3.024 4.965 1.00 0.00 O ATOM 530 CB THR A 32 -16.909 -5.065 2.618 1.00 0.00 C ATOM 531 OG1 THR A 32 -17.256 -5.745 1.407 1.00 0.00 O ATOM 532 CG2 THR A 32 -17.117 -5.995 3.802 1.00 0.00 C ATOM 0 H THR A 32 -16.541 -2.546 1.587 1.00 0.00 H new ATOM 0 HA THR A 32 -18.812 -4.055 2.721 1.00 0.00 H new ATOM 0 HB THR A 32 -15.859 -4.775 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.043 -6.698 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.507 -6.889 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.825 -5.486 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.168 -6.278 3.862 1.00 0.00 H new ATOM 540 N GLY A 33 -16.206 -2.716 4.293 1.00 0.00 N ATOM 541 CA GLY A 33 -15.812 -2.087 5.539 1.00 0.00 C ATOM 542 C GLY A 33 -14.880 -0.909 5.330 1.00 0.00 C ATOM 543 O GLY A 33 -15.315 0.172 4.933 1.00 0.00 O ATOM 0 H GLY A 33 -15.462 -2.799 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.703 -1.751 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.322 -2.825 6.175 1.00 0.00 H new ATOM 547 N TYR A 34 -13.596 -1.120 5.601 1.00 0.00 N ATOM 548 CA TYR A 34 -12.598 -0.066 5.447 1.00 0.00 C ATOM 549 C TYR A 34 -11.736 -0.305 4.209 1.00 0.00 C ATOM 550 O TYR A 34 -12.064 -1.128 3.355 1.00 0.00 O ATOM 551 CB TYR A 34 -11.696 0.009 6.686 1.00 0.00 C ATOM 552 CG TYR A 34 -12.425 0.286 7.988 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.455 -0.539 8.426 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.075 1.373 8.783 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.115 -0.290 9.613 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.731 1.626 9.974 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.750 0.794 10.383 1.00 0.00 C ATOM 558 OH TYR A 34 -14.405 1.045 11.566 1.00 0.00 O ATOM 0 H TYR A 34 -13.222 -2.011 5.928 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.131 0.878 5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.155 -0.933 6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.952 0.790 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.744 -1.390 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.279 2.029 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.913 -0.941 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.446 2.472 10.581 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.026 1.845 11.987 1.00 0.00 H new ATOM 568 N MET A 35 -10.631 0.428 4.131 1.00 0.00 N ATOM 569 CA MET A 35 -9.697 0.325 3.033 1.00 0.00 C ATOM 570 C MET A 35 -8.338 -0.111 3.548 1.00 0.00 C ATOM 571 O MET A 35 -7.970 0.181 4.684 1.00 0.00 O ATOM 572 CB MET A 35 -9.563 1.682 2.347 1.00 0.00 C ATOM 573 CG MET A 35 -8.287 1.838 1.546 1.00 0.00 C ATOM 574 SD MET A 35 -7.963 3.552 1.082 1.00 0.00 S ATOM 575 CE MET A 35 -7.103 3.341 -0.475 1.00 0.00 C ATOM 0 H MET A 35 -10.363 1.114 4.837 1.00 0.00 H new ATOM 0 HA MET A 35 -10.067 -0.413 2.321 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.417 1.830 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.605 2.467 3.103 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.448 1.459 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.351 1.228 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.378 4.145 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.586 2.382 -0.478 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.822 3.368 -1.294 1.00 0.00 H new ATOM 585 N TRP A 36 -7.593 -0.794 2.700 1.00 0.00 N ATOM 586 CA TRP A 36 -6.265 -1.249 3.059 1.00 0.00 C ATOM 587 C TRP A 36 -5.218 -0.442 2.309 1.00 0.00 C ATOM 588 O TRP A 36 -4.814 -0.802 1.203 1.00 0.00 O ATOM 589 CB TRP A 36 -6.105 -2.729 2.749 1.00 0.00 C ATOM 590 CG TRP A 36 -6.356 -3.615 3.927 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.360 -4.529 4.071 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.589 -3.664 5.129 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.265 -5.142 5.297 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.184 -4.628 5.965 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.456 -2.985 5.581 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.681 -4.927 7.228 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.959 -3.283 6.830 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.570 -4.246 7.643 1.00 0.00 C ATOM 0 H TRP A 36 -7.886 -1.046 1.756 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.126 -1.104 4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.792 -3.001 1.947 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.096 -2.908 2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.117 -4.739 3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.895 -5.861 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.978 -2.240 4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.151 -5.669 7.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.082 -2.765 7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.155 -4.455 8.618 1.00 0.00 H new ATOM 609 N THR A 37 -4.792 0.657 2.915 1.00 0.00 N ATOM 610 CA THR A 37 -3.802 1.529 2.298 1.00 0.00 C ATOM 611 C THR A 37 -2.745 1.943 3.321 1.00 0.00 C ATOM 612 O THR A 37 -2.672 1.365 4.405 1.00 0.00 O ATOM 613 CB THR A 37 -4.474 2.782 1.710 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.536 3.522 0.921 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.019 3.666 2.819 1.00 0.00 C ATOM 0 H THR A 37 -5.115 0.966 3.832 1.00 0.00 H new ATOM 0 HA THR A 37 -3.320 0.977 1.491 1.00 0.00 H new ATOM 0 HB THR A 37 -5.301 2.461 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.975 4.316 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.490 4.547 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.755 3.110 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.203 3.976 3.471 1.00 0.00 H new ATOM 623 N ARG A 38 -1.927 2.942 2.987 1.00 0.00 N ATOM 624 CA ARG A 38 -0.892 3.406 3.904 1.00 0.00 C ATOM 625 C ARG A 38 -1.428 4.518 4.806 1.00 0.00 C ATOM 626 O ARG A 38 -2.276 5.311 4.394 1.00 0.00 O ATOM 627 CB ARG A 38 0.342 3.890 3.136 1.00 0.00 C ATOM 628 CG ARG A 38 1.418 2.846 2.974 1.00 0.00 C ATOM 629 CD ARG A 38 2.494 3.312 2.007 1.00 0.00 C ATOM 630 NE ARG A 38 2.918 4.689 2.241 1.00 0.00 N ATOM 631 CZ ARG A 38 4.111 5.014 2.735 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.958 4.063 3.108 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.458 6.287 2.861 1.00 0.00 N ATOM 0 H ARG A 38 -1.962 3.439 2.097 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.596 2.565 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.031 4.231 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.763 4.752 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.866 2.628 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.976 1.918 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.358 2.653 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.121 3.222 0.987 1.00 0.00 H new ATOM 0 HE ARG A 38 2.267 5.441 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.695 3.082 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.872 4.313 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.810 7.023 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.373 6.531 3.240 1.00 0.00 H new ATOM 647 N VAL A 39 -0.926 4.570 6.038 1.00 0.00 N ATOM 648 CA VAL A 39 -1.357 5.573 7.008 1.00 0.00 C ATOM 649 C VAL A 39 -1.000 6.986 6.555 1.00 0.00 C ATOM 650 O VAL A 39 0.132 7.250 6.149 1.00 0.00 O ATOM 651 CB VAL A 39 -0.723 5.321 8.391 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.262 6.309 9.416 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.965 3.889 8.845 1.00 0.00 C ATOM 0 H VAL A 39 -0.217 3.926 6.389 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.441 5.486 7.082 1.00 0.00 H new ATOM 0 HB VAL A 39 0.353 5.471 8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.803 6.115 10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.027 7.325 9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.343 6.195 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.509 3.735 9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.037 3.705 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.523 3.200 8.126 1.00 0.00 H new ATOM 663 N GLY A 40 -1.972 7.890 6.640 1.00 0.00 N ATOM 664 CA GLY A 40 -1.744 9.269 6.244 1.00 0.00 C ATOM 665 C GLY A 40 -1.848 9.475 4.746 1.00 0.00 C ATOM 666 O GLY A 40 -1.435 10.511 4.226 1.00 0.00 O ATOM 0 H GLY A 40 -2.914 7.692 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.468 9.911 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.755 9.580 6.581 1.00 0.00 H new ATOM 670 N PHE A 41 -2.404 8.489 4.051 1.00 0.00 N ATOM 671 CA PHE A 41 -2.561 8.565 2.604 1.00 0.00 C ATOM 672 C PHE A 41 -3.936 8.075 2.186 1.00 0.00 C ATOM 673 O PHE A 41 -4.265 8.043 1.001 1.00 0.00 O ATOM 674 CB PHE A 41 -1.474 7.743 1.921 1.00 0.00 C ATOM 675 CG PHE A 41 -0.097 8.138 2.358 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.463 9.330 1.934 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.628 7.322 3.204 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.727 9.703 2.351 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.892 7.686 3.624 1.00 0.00 C ATOM 680 CZ PHE A 41 2.443 8.879 3.197 1.00 0.00 C ATOM 0 H PHE A 41 -2.754 7.626 4.468 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.464 9.606 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.632 6.686 2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.557 7.862 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.093 9.976 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.202 6.389 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.154 10.637 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.449 7.039 4.285 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.431 9.166 3.524 1.00 0.00 H new ATOM 690 N VAL A 42 -4.727 7.681 3.175 1.00 0.00 N ATOM 691 CA VAL A 42 -6.082 7.197 2.935 1.00 0.00 C ATOM 692 C VAL A 42 -6.825 8.101 1.953 1.00 0.00 C ATOM 693 O VAL A 42 -6.955 9.305 2.174 1.00 0.00 O ATOM 694 CB VAL A 42 -6.882 7.107 4.252 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.864 8.437 4.988 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.309 6.656 3.982 1.00 0.00 C ATOM 0 H VAL A 42 -4.452 7.687 4.157 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.995 6.200 2.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.405 6.363 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.434 8.349 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.835 8.710 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.310 9.207 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.857 6.599 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.798 7.371 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.297 5.674 3.509 1.00 0.00 H new ATOM 706 N GLY A 43 -7.305 7.511 0.862 1.00 0.00 N ATOM 707 CA GLY A 43 -8.029 8.274 -0.139 1.00 0.00 C ATOM 708 C GLY A 43 -7.132 8.755 -1.265 1.00 0.00 C ATOM 709 O GLY A 43 -7.531 8.749 -2.430 1.00 0.00 O ATOM 0 H GLY A 43 -7.205 6.518 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.828 7.658 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.503 9.133 0.336 1.00 0.00 H new ATOM 713 N LYS A 44 -5.918 9.172 -0.916 1.00 0.00 N ATOM 714 CA LYS A 44 -4.961 9.659 -1.899 1.00 0.00 C ATOM 715 C LYS A 44 -4.633 8.581 -2.928 1.00 0.00 C ATOM 716 O LYS A 44 -4.940 7.405 -2.730 1.00 0.00 O ATOM 717 CB LYS A 44 -3.683 10.114 -1.196 1.00 0.00 C ATOM 718 CG LYS A 44 -3.918 11.168 -0.125 1.00 0.00 C ATOM 719 CD LYS A 44 -2.610 11.636 0.492 1.00 0.00 C ATOM 720 CE LYS A 44 -2.845 12.686 1.566 1.00 0.00 C ATOM 721 NZ LYS A 44 -1.568 13.150 2.177 1.00 0.00 N ATOM 0 H LYS A 44 -5.575 9.181 0.045 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.409 10.504 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.200 9.248 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.992 10.511 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.442 12.019 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.563 10.760 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.085 10.784 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.966 12.047 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.371 13.537 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.490 12.274 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.700 14.100 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.285 12.492 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.826 13.182 1.449 1.00 0.00 H new ATOM 735 N ASP A 45 -4.005 8.990 -4.027 1.00 0.00 N ATOM 736 CA ASP A 45 -3.632 8.069 -5.085 1.00 0.00 C ATOM 737 C ASP A 45 -2.291 7.412 -4.782 1.00 0.00 C ATOM 738 O ASP A 45 -2.133 6.200 -4.930 1.00 0.00 O ATOM 739 CB ASP A 45 -3.562 8.815 -6.414 1.00 0.00 C ATOM 740 CG ASP A 45 -4.921 9.290 -6.886 1.00 0.00 C ATOM 741 OD1 ASP A 45 -5.602 8.527 -7.602 1.00 0.00 O ATOM 742 OD2 ASP A 45 -5.307 10.427 -6.538 1.00 0.00 O ATOM 0 H ASP A 45 -3.745 9.960 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.388 7.287 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.897 9.672 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.126 8.163 -7.171 1.00 0.00 H new ATOM 747 N VAL A 46 -1.327 8.223 -4.358 1.00 0.00 N ATOM 748 CA VAL A 46 0.002 7.726 -4.030 1.00 0.00 C ATOM 749 C VAL A 46 0.245 7.750 -2.529 1.00 0.00 C ATOM 750 O VAL A 46 -0.072 8.725 -1.848 1.00 0.00 O ATOM 751 CB VAL A 46 1.102 8.540 -4.744 1.00 0.00 C ATOM 752 CG1 VAL A 46 2.414 8.499 -3.970 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.301 8.021 -6.157 1.00 0.00 C ATOM 0 H VAL A 46 -1.443 9.229 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 46 0.049 6.694 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 46 0.778 9.580 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.167 9.082 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.263 8.919 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.751 7.466 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.079 8.602 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.598 6.973 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.369 8.115 -6.714 1.00 0.00 H new ATOM 763 N LEU A 47 0.812 6.664 -2.024 1.00 0.00 N ATOM 764 CA LEU A 47 1.110 6.542 -0.608 1.00 0.00 C ATOM 765 C LEU A 47 2.586 6.826 -0.356 1.00 0.00 C ATOM 766 O LEU A 47 2.940 7.618 0.515 1.00 0.00 O ATOM 767 CB LEU A 47 0.756 5.143 -0.120 1.00 0.00 C ATOM 768 CG LEU A 47 -0.458 4.503 -0.801 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.641 3.070 -0.322 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.714 5.319 -0.545 1.00 0.00 C ATOM 0 H LEU A 47 1.076 5.850 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 47 0.514 7.270 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.619 4.494 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.570 5.186 0.953 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.279 4.488 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.508 2.629 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.249 2.489 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.796 3.064 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.563 4.845 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.901 5.372 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.581 6.326 -0.940 1.00 0.00 H new ATOM 782 N SER A 48 3.439 6.161 -1.129 1.00 0.00 N ATOM 783 CA SER A 48 4.881 6.331 -1.026 1.00 0.00 C ATOM 784 C SER A 48 5.279 7.803 -1.117 1.00 0.00 C ATOM 785 O SER A 48 4.443 8.669 -1.377 1.00 0.00 O ATOM 786 CB SER A 48 5.563 5.548 -2.141 1.00 0.00 C ATOM 787 OG SER A 48 5.275 6.109 -3.410 1.00 0.00 O ATOM 0 H SER A 48 3.149 5.491 -1.842 1.00 0.00 H new ATOM 0 HA SER A 48 5.200 5.955 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.641 5.543 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.232 4.510 -2.115 1.00 0.00 H new ATOM 0 HG SER A 48 5.726 5.589 -4.108 1.00 0.00 H new ATOM 793 N ASP A 49 6.567 8.075 -0.915 1.00 0.00 N ATOM 794 CA ASP A 49 7.080 9.439 -0.974 1.00 0.00 C ATOM 795 C ASP A 49 8.561 9.455 -1.327 1.00 0.00 C ATOM 796 O ASP A 49 8.933 9.579 -2.495 1.00 0.00 O ATOM 797 CB ASP A 49 6.864 10.157 0.360 1.00 0.00 C ATOM 798 CG ASP A 49 5.415 10.545 0.585 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.027 11.657 0.171 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.670 9.735 1.175 1.00 0.00 O ATOM 0 H ASP A 49 7.273 7.368 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 49 6.529 9.962 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.194 9.511 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.485 11.052 0.392 1.00 0.00 H new ATOM 805 N GLU A 50 9.404 9.329 -0.308 1.00 0.00 N ATOM 806 CA GLU A 50 10.844 9.342 -0.498 1.00 0.00 C ATOM 807 C GLU A 50 11.510 8.185 0.242 1.00 0.00 C ATOM 808 O GLU A 50 12.508 7.632 -0.220 1.00 0.00 O ATOM 809 CB GLU A 50 11.403 10.674 -0.007 1.00 0.00 C ATOM 810 CG GLU A 50 11.210 10.903 1.482 1.00 0.00 C ATOM 811 CD GLU A 50 11.595 12.306 1.911 1.00 0.00 C ATOM 812 OE1 GLU A 50 12.789 12.532 2.198 1.00 0.00 O ATOM 813 OE2 GLU A 50 10.703 13.178 1.960 1.00 0.00 O ATOM 0 H GLU A 50 9.110 9.216 0.662 1.00 0.00 H new ATOM 0 HA GLU A 50 11.058 9.222 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.467 10.719 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.923 11.484 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.167 10.721 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.808 10.180 2.037 1.00 0.00 H new ATOM 820 N ILE A 51 10.951 7.829 1.394 1.00 0.00 N ATOM 821 CA ILE A 51 11.485 6.746 2.205 1.00 0.00 C ATOM 822 C ILE A 51 11.454 5.416 1.462 1.00 0.00 C ATOM 823 O ILE A 51 12.496 4.809 1.216 1.00 0.00 O ATOM 824 CB ILE A 51 10.704 6.615 3.514 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.719 7.952 4.250 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.285 5.507 4.382 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.094 8.389 4.711 1.00 0.00 C ATOM 0 H ILE A 51 10.124 8.279 1.787 1.00 0.00 H new ATOM 0 HA ILE A 51 12.524 6.993 2.424 1.00 0.00 H new ATOM 0 HB ILE A 51 9.672 6.347 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.306 8.720 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.061 7.885 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.714 5.432 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.233 4.559 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.325 5.735 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.018 9.347 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.503 7.643 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.752 8.491 3.848 1.00 0.00 H new ATOM 839 N LEU A 52 10.253 4.961 1.117 1.00 0.00 N ATOM 840 CA LEU A 52 10.092 3.701 0.398 1.00 0.00 C ATOM 841 C LEU A 52 9.262 3.896 -0.862 1.00 0.00 C ATOM 842 O LEU A 52 8.232 4.567 -0.834 1.00 0.00 O ATOM 843 CB LEU A 52 9.401 2.647 1.271 1.00 0.00 C ATOM 844 CG LEU A 52 9.978 2.445 2.672 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.206 1.359 3.406 1.00 0.00 C ATOM 846 CD2 LEU A 52 11.457 2.093 2.602 1.00 0.00 C ATOM 0 H LEU A 52 9.379 5.445 1.323 1.00 0.00 H new ATOM 0 HA LEU A 52 11.092 3.358 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.350 2.920 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.435 1.692 0.746 1.00 0.00 H new ATOM 0 HG LEU A 52 9.878 3.380 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.626 1.224 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.159 1.650 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.279 0.423 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.846 1.954 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.585 1.172 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.000 2.901 2.112 1.00 0.00 H new ATOM 858 N GLU A 53 9.724 3.321 -1.968 1.00 0.00 N ATOM 859 CA GLU A 53 8.990 3.389 -3.222 1.00 0.00 C ATOM 860 C GLU A 53 7.790 2.457 -3.144 1.00 0.00 C ATOM 861 O GLU A 53 7.727 1.441 -3.837 1.00 0.00 O ATOM 862 CB GLU A 53 9.891 2.995 -4.390 1.00 0.00 C ATOM 863 CG GLU A 53 10.412 4.180 -5.176 1.00 0.00 C ATOM 864 CD GLU A 53 9.673 4.386 -6.483 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.651 5.103 -6.479 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.115 3.829 -7.510 1.00 0.00 O ATOM 0 H GLU A 53 10.602 2.804 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 53 8.649 4.411 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.736 2.421 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.337 2.339 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.325 5.081 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.473 4.036 -5.382 1.00 0.00 H new ATOM 873 N VAL A 54 6.847 2.806 -2.278 1.00 0.00 N ATOM 874 CA VAL A 54 5.659 1.998 -2.076 1.00 0.00 C ATOM 875 C VAL A 54 4.686 2.116 -3.234 1.00 0.00 C ATOM 876 O VAL A 54 3.732 2.893 -3.180 1.00 0.00 O ATOM 877 CB VAL A 54 4.919 2.377 -0.784 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.935 1.283 -0.412 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.901 2.644 0.345 1.00 0.00 C ATOM 0 H VAL A 54 6.886 3.648 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 54 6.014 0.970 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 54 4.361 3.298 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.414 1.559 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.211 1.156 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.473 0.348 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.353 2.910 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.494 1.748 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.562 3.465 0.066 1.00 0.00 H new ATOM 889 N VAL A 55 4.933 1.353 -4.285 1.00 0.00 N ATOM 890 CA VAL A 55 4.052 1.355 -5.432 1.00 0.00 C ATOM 891 C VAL A 55 2.854 0.470 -5.143 1.00 0.00 C ATOM 892 O VAL A 55 2.805 -0.696 -5.537 1.00 0.00 O ATOM 893 CB VAL A 55 4.750 0.861 -6.700 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.832 1.033 -7.899 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.066 1.595 -6.909 1.00 0.00 C ATOM 0 H VAL A 55 5.735 0.727 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 55 3.739 2.384 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 55 4.975 -0.199 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.337 0.679 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.920 0.457 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.580 2.087 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.547 1.229 -7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.875 2.664 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.720 1.419 -6.055 1.00 0.00 H new ATOM 905 N CYS A 56 1.903 1.039 -4.433 1.00 0.00 N ATOM 906 CA CYS A 56 0.694 0.328 -4.050 1.00 0.00 C ATOM 907 C CYS A 56 -0.402 0.532 -5.079 1.00 0.00 C ATOM 908 O CYS A 56 -0.633 1.648 -5.545 1.00 0.00 O ATOM 909 CB CYS A 56 0.213 0.799 -2.678 1.00 0.00 C ATOM 910 SG CYS A 56 -1.406 0.150 -2.200 1.00 0.00 S ATOM 0 H CYS A 56 1.942 2.004 -4.104 1.00 0.00 H new ATOM 0 HA CYS A 56 0.929 -0.735 -4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.946 0.505 -1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.172 1.888 -2.674 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.632 0.426 -0.950 1.00 0.00 H new ATOM 916 N LYS A 57 -1.075 -0.552 -5.430 1.00 0.00 N ATOM 917 CA LYS A 57 -2.148 -0.491 -6.402 1.00 0.00 C ATOM 918 C LYS A 57 -3.409 -1.129 -5.849 1.00 0.00 C ATOM 919 O LYS A 57 -3.511 -2.354 -5.742 1.00 0.00 O ATOM 920 CB LYS A 57 -1.746 -1.191 -7.693 1.00 0.00 C ATOM 921 CG LYS A 57 -0.322 -0.895 -8.133 1.00 0.00 C ATOM 922 CD LYS A 57 0.033 -1.638 -9.411 1.00 0.00 C ATOM 923 CE LYS A 57 1.459 -1.346 -9.848 1.00 0.00 C ATOM 924 NZ LYS A 57 1.674 0.102 -10.115 1.00 0.00 N ATOM 0 H LYS A 57 -0.895 -1.483 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.346 0.559 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.860 -2.267 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.431 -0.892 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.204 0.177 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.371 -1.179 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.089 -2.710 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.658 -1.351 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.151 -1.679 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.687 -1.918 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.649 0.253 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.009 0.422 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.514 0.643 -9.242 1.00 0.00 H new ATOM 938 N TYR A 58 -4.358 -0.289 -5.482 1.00 0.00 N ATOM 939 CA TYR A 58 -5.628 -0.757 -4.958 1.00 0.00 C ATOM 940 C TYR A 58 -6.525 -1.140 -6.127 1.00 0.00 C ATOM 941 O TYR A 58 -6.954 -0.282 -6.898 1.00 0.00 O ATOM 942 CB TYR A 58 -6.288 0.329 -4.089 1.00 0.00 C ATOM 943 CG TYR A 58 -7.557 -0.100 -3.367 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.453 -1.008 -3.935 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.869 0.430 -2.119 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.609 -1.380 -3.284 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.033 0.066 -1.465 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.897 -0.840 -2.051 1.00 0.00 C ATOM 949 OH TYR A 58 -11.054 -1.200 -1.400 1.00 0.00 O ATOM 0 H TYR A 58 -4.273 0.726 -5.537 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.468 -1.629 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.564 0.668 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.521 1.186 -4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.235 -1.428 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.194 1.134 -1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.284 -2.090 -3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.266 0.489 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.106 -0.730 -0.542 1.00 0.00 H new ATOM 959 N THR A 59 -6.795 -2.433 -6.253 1.00 0.00 N ATOM 960 CA THR A 59 -7.636 -2.937 -7.329 1.00 0.00 C ATOM 961 C THR A 59 -9.033 -3.274 -6.813 1.00 0.00 C ATOM 962 O THR A 59 -9.238 -4.327 -6.217 1.00 0.00 O ATOM 963 CB THR A 59 -7.017 -4.189 -7.969 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.594 -4.036 -8.063 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.590 -4.421 -9.355 1.00 0.00 C ATOM 0 H THR A 59 -6.443 -3.152 -5.622 1.00 0.00 H new ATOM 0 HA THR A 59 -7.711 -2.152 -8.081 1.00 0.00 H new ATOM 0 HB THR A 59 -7.253 -5.048 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.205 -4.838 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.139 -5.312 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.669 -4.558 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.375 -3.559 -9.987 1.00 0.00 H new ATOM 973 N PRO A 60 -10.009 -2.377 -7.039 1.00 0.00 N ATOM 974 CA PRO A 60 -11.382 -2.545 -6.590 1.00 0.00 C ATOM 975 C PRO A 60 -12.330 -2.985 -7.696 1.00 0.00 C ATOM 976 O PRO A 60 -13.548 -2.994 -7.514 1.00 0.00 O ATOM 977 CB PRO A 60 -11.711 -1.121 -6.166 1.00 0.00 C ATOM 978 CG PRO A 60 -10.996 -0.266 -7.173 1.00 0.00 C ATOM 979 CD PRO A 60 -9.866 -1.096 -7.739 1.00 0.00 C ATOM 0 HA PRO A 60 -11.488 -3.315 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.786 -0.939 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.366 -0.917 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.677 0.048 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.611 0.640 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.955 -1.215 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.895 -0.639 -7.548 1.00 0.00 H new ATOM 987 N THR A 61 -11.772 -3.348 -8.837 1.00 0.00 N ATOM 988 CA THR A 61 -12.580 -3.767 -9.975 1.00 0.00 C ATOM 989 C THR A 61 -12.930 -5.252 -9.892 1.00 0.00 C ATOM 990 O THR A 61 -12.085 -6.076 -9.546 1.00 0.00 O ATOM 991 CB THR A 61 -11.862 -3.493 -11.309 1.00 0.00 C ATOM 992 OG1 THR A 61 -10.836 -2.510 -11.123 1.00 0.00 O ATOM 993 CG2 THR A 61 -12.845 -3.007 -12.364 1.00 0.00 C ATOM 0 H THR A 61 -10.766 -3.362 -9.003 1.00 0.00 H new ATOM 0 HA THR A 61 -13.498 -3.180 -9.939 1.00 0.00 H new ATOM 0 HB THR A 61 -11.415 -4.426 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.384 -2.344 -11.976 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.314 -2.820 -13.297 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.609 -3.767 -12.527 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.317 -2.085 -12.024 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.191 -5.612 -10.202 1.00 0.00 N ATOM 1002 CA PRO A 62 -14.649 -6.999 -10.168 1.00 0.00 C ATOM 1003 C PRO A 62 -14.370 -7.732 -11.476 1.00 0.00 C ATOM 1004 O PRO A 62 -13.798 -7.164 -12.407 1.00 0.00 O ATOM 1005 CB PRO A 62 -16.151 -6.843 -9.955 1.00 0.00 C ATOM 1006 CG PRO A 62 -16.498 -5.579 -10.668 1.00 0.00 C ATOM 1007 CD PRO A 62 -15.274 -4.695 -10.604 1.00 0.00 C ATOM 0 HA PRO A 62 -14.145 -7.589 -9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.700 -7.692 -10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.398 -6.782 -8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.775 -5.782 -11.702 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.352 -5.092 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.066 -4.231 -11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.402 -3.888 -9.883 1.00 0.00 H new ATOM 1015 N SER A 63 -14.776 -8.995 -11.539 1.00 0.00 N ATOM 1016 CA SER A 63 -14.572 -9.804 -12.736 1.00 0.00 C ATOM 1017 C SER A 63 -15.465 -11.040 -12.713 1.00 0.00 C ATOM 1018 O SER A 63 -16.325 -11.181 -11.844 1.00 0.00 O ATOM 1019 CB SER A 63 -13.105 -10.220 -12.852 1.00 0.00 C ATOM 1020 OG SER A 63 -12.812 -10.696 -14.154 1.00 0.00 O ATOM 0 H SER A 63 -15.248 -9.481 -10.776 1.00 0.00 H new ATOM 0 HA SER A 63 -14.839 -9.201 -13.604 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.463 -9.370 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.885 -10.996 -12.119 1.00 0.00 H new ATOM 0 HG SER A 63 -11.845 -10.652 -14.309 1.00 0.00 H new ATOM 1026 N SER A 64 -15.256 -11.935 -13.675 1.00 0.00 N ATOM 1027 CA SER A 64 -16.045 -13.159 -13.765 1.00 0.00 C ATOM 1028 C SER A 64 -15.247 -14.365 -13.276 1.00 0.00 C ATOM 1029 O SER A 64 -15.657 -15.053 -12.342 1.00 0.00 O ATOM 1030 CB SER A 64 -16.504 -13.389 -15.206 1.00 0.00 C ATOM 1031 OG SER A 64 -17.278 -14.571 -15.313 1.00 0.00 O ATOM 0 H SER A 64 -14.548 -11.835 -14.402 1.00 0.00 H new ATOM 0 HA SER A 64 -16.919 -13.043 -13.124 1.00 0.00 H new ATOM 0 HB2 SER A 64 -17.090 -12.535 -15.545 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.635 -13.459 -15.861 1.00 0.00 H new ATOM 0 HG SER A 64 -17.560 -14.694 -16.243 1.00 0.00 H new ATOM 1037 N THR A 65 -14.107 -14.614 -13.913 1.00 0.00 N ATOM 1038 CA THR A 65 -13.256 -15.743 -13.544 1.00 0.00 C ATOM 1039 C THR A 65 -11.996 -15.293 -12.797 1.00 0.00 C ATOM 1040 O THR A 65 -11.677 -15.831 -11.737 1.00 0.00 O ATOM 1041 CB THR A 65 -12.851 -16.576 -14.777 1.00 0.00 C ATOM 1042 OG1 THR A 65 -14.020 -17.012 -15.480 1.00 0.00 O ATOM 1043 CG2 THR A 65 -12.023 -17.785 -14.368 1.00 0.00 C ATOM 0 H THR A 65 -13.751 -14.051 -14.686 1.00 0.00 H new ATOM 0 HA THR A 65 -13.851 -16.366 -12.876 1.00 0.00 H new ATOM 0 HB THR A 65 -12.247 -15.945 -15.429 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.754 -17.539 -16.262 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.750 -18.356 -15.255 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.119 -17.451 -13.859 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.606 -18.415 -13.696 1.00 0.00 H new ATOM 1051 N PRO A 66 -11.261 -14.300 -13.335 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.034 -13.793 -12.711 1.00 0.00 C ATOM 1053 C PRO A 66 -10.313 -13.036 -11.418 1.00 0.00 C ATOM 1054 O PRO A 66 -11.057 -12.055 -11.409 1.00 0.00 O ATOM 1055 CB PRO A 66 -9.445 -12.849 -13.771 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.199 -13.140 -15.026 1.00 0.00 C ATOM 1057 CD PRO A 66 -11.557 -13.595 -14.585 1.00 0.00 C ATOM 0 HA PRO A 66 -9.361 -14.603 -12.429 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.561 -11.806 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.378 -13.025 -13.904 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.268 -12.253 -15.656 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.699 -13.910 -15.614 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.235 -12.756 -14.428 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.025 -14.250 -15.320 1.00 0.00 H new ATOM 1065 N MET A 67 -9.709 -13.497 -10.328 1.00 0.00 N ATOM 1066 CA MET A 67 -9.888 -12.868 -9.024 1.00 0.00 C ATOM 1067 C MET A 67 -8.597 -12.946 -8.224 1.00 0.00 C ATOM 1068 O MET A 67 -8.598 -12.804 -7.001 1.00 0.00 O ATOM 1069 CB MET A 67 -11.021 -13.552 -8.254 1.00 0.00 C ATOM 1070 CG MET A 67 -12.377 -13.449 -8.937 1.00 0.00 C ATOM 1071 SD MET A 67 -12.974 -11.751 -9.044 1.00 0.00 S ATOM 1072 CE MET A 67 -13.160 -11.345 -7.310 1.00 0.00 C ATOM 0 H MET A 67 -9.089 -14.307 -10.322 1.00 0.00 H new ATOM 0 HA MET A 67 -10.149 -11.821 -9.176 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.772 -14.604 -8.118 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.091 -13.110 -7.260 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.307 -13.869 -9.940 1.00 0.00 H new ATOM 0 HG3 MET A 67 -13.102 -14.051 -8.389 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.623 -10.363 -7.214 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.790 -12.092 -6.827 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.180 -11.332 -6.832 1.00 0.00 H new ATOM 1082 N VAL A 68 -7.496 -13.166 -8.932 1.00 0.00 N ATOM 1083 CA VAL A 68 -6.189 -13.281 -8.304 1.00 0.00 C ATOM 1084 C VAL A 68 -5.332 -12.049 -8.589 1.00 0.00 C ATOM 1085 O VAL A 68 -4.102 -12.116 -8.601 1.00 0.00 O ATOM 1086 CB VAL A 68 -5.468 -14.554 -8.794 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -4.987 -14.386 -10.229 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -4.313 -14.915 -7.872 1.00 0.00 C ATOM 0 H VAL A 68 -7.485 -13.269 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.338 -13.351 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.184 -15.376 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.482 -15.296 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.841 -14.194 -10.879 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.293 -13.547 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.822 -15.816 -8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.596 -14.094 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.693 -15.094 -6.866 1.00 0.00 H new ATOM 1098 N GLY A 69 -5.995 -10.919 -8.796 1.00 0.00 N ATOM 1099 CA GLY A 69 -5.287 -9.684 -9.081 1.00 0.00 C ATOM 1100 C GLY A 69 -6.214 -8.489 -9.179 1.00 0.00 C ATOM 1101 O GLY A 69 -5.817 -7.362 -8.884 1.00 0.00 O ATOM 0 H GLY A 69 -7.011 -10.834 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.550 -9.504 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.739 -9.792 -10.017 1.00 0.00 H new ATOM 1105 N VAL A 70 -7.449 -8.737 -9.595 1.00 0.00 N ATOM 1106 CA VAL A 70 -8.437 -7.677 -9.737 1.00 0.00 C ATOM 1107 C VAL A 70 -9.798 -8.123 -9.207 1.00 0.00 C ATOM 1108 O VAL A 70 -10.664 -8.566 -9.961 1.00 0.00 O ATOM 1109 CB VAL A 70 -8.562 -7.220 -11.208 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -8.799 -8.409 -12.127 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -9.664 -6.181 -11.365 1.00 0.00 C ATOM 0 H VAL A 70 -7.791 -9.666 -9.841 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.094 -6.830 -9.144 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.620 -6.754 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.884 -8.062 -13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.963 -9.104 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.720 -8.914 -11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.731 -5.876 -12.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.616 -6.610 -11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.436 -5.312 -10.748 1.00 0.00 H new ATOM 1121 N GLY A 71 -9.971 -8.015 -7.895 1.00 0.00 N ATOM 1122 CA GLY A 71 -11.220 -8.408 -7.280 1.00 0.00 C ATOM 1123 C GLY A 71 -11.510 -7.661 -5.995 1.00 0.00 C ATOM 1124 O GLY A 71 -12.358 -8.082 -5.208 1.00 0.00 O ATOM 0 H GLY A 71 -9.267 -7.662 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.034 -8.237 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.196 -9.478 -7.074 1.00 0.00 H new ATOM 1128 N GLY A 72 -10.812 -6.552 -5.775 1.00 0.00 N ATOM 1129 CA GLY A 72 -11.025 -5.778 -4.572 1.00 0.00 C ATOM 1130 C GLY A 72 -9.923 -5.970 -3.558 1.00 0.00 C ATOM 1131 O GLY A 72 -10.155 -5.868 -2.353 1.00 0.00 O ATOM 0 H GLY A 72 -10.105 -6.178 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.096 -4.722 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.978 -6.061 -4.126 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.719 -6.248 -4.041 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.586 -6.453 -3.152 1.00 0.00 C ATOM 1137 C ILE A 73 -6.701 -5.219 -3.090 1.00 0.00 C ATOM 1138 O ILE A 73 -7.069 -4.146 -3.569 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.711 -7.658 -3.553 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.051 -7.440 -4.910 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.513 -8.943 -3.541 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.667 -8.049 -4.983 1.00 0.00 C ATOM 0 H ILE A 73 -8.504 -6.336 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.023 -6.655 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.918 -7.749 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.677 -7.874 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.986 -6.371 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.871 -9.776 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.907 -9.117 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.339 -8.863 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.241 -7.866 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.030 -7.597 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.733 -9.123 -4.810 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.529 -5.390 -2.491 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.578 -4.304 -2.341 1.00 0.00 C ATOM 1156 C TYR A 74 -3.153 -4.824 -2.516 1.00 0.00 C ATOM 1157 O TYR A 74 -2.567 -5.363 -1.579 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.739 -3.670 -0.956 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.152 -3.747 -0.408 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.635 -4.918 0.170 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.003 -2.652 -0.466 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.919 -4.993 0.671 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.290 -2.724 0.039 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.742 -3.894 0.603 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.021 -3.965 1.103 1.00 0.00 O ATOM 0 H TYR A 74 -5.216 -6.278 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.771 -3.552 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.062 -4.164 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.436 -2.624 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.993 -5.784 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.656 -1.731 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.275 -5.911 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.939 -1.862 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.470 -3.103 0.978 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.601 -4.665 -3.717 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.248 -5.132 -3.997 1.00 0.00 C ATOM 1177 C VAL A 75 -0.236 -4.021 -3.757 1.00 0.00 C ATOM 1178 O VAL A 75 -0.106 -3.092 -4.553 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.111 -5.673 -5.438 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.642 -4.675 -6.451 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.336 -6.030 -5.743 1.00 0.00 C ATOM 0 H VAL A 75 -3.068 -4.219 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.043 -5.955 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.712 -6.579 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.532 -5.083 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.696 -4.480 -6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.080 -3.744 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.410 -6.409 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.959 -5.142 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.677 -6.795 -5.046 1.00 0.00 H new ATOM 1191 N VAL A 76 0.480 -4.127 -2.648 1.00 0.00 N ATOM 1192 CA VAL A 76 1.467 -3.123 -2.270 1.00 0.00 C ATOM 1193 C VAL A 76 2.895 -3.542 -2.621 1.00 0.00 C ATOM 1194 O VAL A 76 3.339 -4.627 -2.249 1.00 0.00 O ATOM 1195 CB VAL A 76 1.401 -2.842 -0.757 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.301 -1.674 -0.388 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.034 -2.583 -0.319 1.00 0.00 C ATOM 0 H VAL A 76 0.396 -4.902 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 76 1.221 -2.226 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 76 1.760 -3.725 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.240 -1.492 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.331 -1.909 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.979 -0.782 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.057 -2.387 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.428 -1.719 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.646 -3.457 -0.541 1.00 0.00 H new ATOM 1207 N LEU A 77 3.605 -2.670 -3.341 1.00 0.00 N ATOM 1208 CA LEU A 77 4.995 -2.925 -3.710 1.00 0.00 C ATOM 1209 C LEU A 77 5.908 -1.960 -2.977 1.00 0.00 C ATOM 1210 O LEU A 77 6.080 -0.820 -3.398 1.00 0.00 O ATOM 1211 CB LEU A 77 5.208 -2.775 -5.216 1.00 0.00 C ATOM 1212 CG LEU A 77 4.528 -3.844 -6.073 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.756 -3.568 -7.551 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.042 -5.223 -5.699 1.00 0.00 C ATOM 0 H LEU A 77 3.237 -1.781 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 77 5.233 -3.951 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.841 -1.796 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.279 -2.793 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 77 3.455 -3.812 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.265 -4.339 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.341 -2.593 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.825 -3.574 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.550 -5.975 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.119 -5.267 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.827 -5.419 -4.649 1.00 0.00 H new ATOM 1226 N VAL A 78 6.501 -2.416 -1.889 1.00 0.00 N ATOM 1227 CA VAL A 78 7.378 -1.559 -1.106 1.00 0.00 C ATOM 1228 C VAL A 78 8.834 -1.748 -1.511 1.00 0.00 C ATOM 1229 O VAL A 78 9.457 -2.757 -1.179 1.00 0.00 O ATOM 1230 CB VAL A 78 7.228 -1.817 0.404 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.971 -0.509 1.152 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.114 -2.816 0.671 1.00 0.00 C ATOM 0 H VAL A 78 6.395 -3.364 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 78 7.080 -0.531 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 78 8.162 -2.242 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.868 -0.713 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.807 0.172 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.054 -0.051 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.025 -2.984 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.173 -2.423 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.344 -3.759 0.174 1.00 0.00 H new ATOM 1242 N LYS A 79 9.365 -0.772 -2.244 1.00 0.00 N ATOM 1243 CA LYS A 79 10.749 -0.819 -2.698 1.00 0.00 C ATOM 1244 C LYS A 79 11.625 0.126 -1.877 1.00 0.00 C ATOM 1245 O LYS A 79 11.658 1.329 -2.132 1.00 0.00 O ATOM 1246 CB LYS A 79 10.836 -0.459 -4.181 1.00 0.00 C ATOM 1247 CG LYS A 79 10.642 -1.650 -5.105 1.00 0.00 C ATOM 1248 CD LYS A 79 10.831 -1.264 -6.563 1.00 0.00 C ATOM 1249 CE LYS A 79 9.743 -0.314 -7.038 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.387 -0.917 -6.916 1.00 0.00 N ATOM 0 H LYS A 79 8.855 0.062 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 79 11.116 -1.836 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.082 0.295 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.808 -0.008 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.351 -2.435 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.643 -2.062 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.806 -0.794 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.826 -2.162 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.785 0.606 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.927 -0.042 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.762 -0.516 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.452 -1.947 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.998 -0.709 -5.974 1.00 0.00 H new ATOM 1264 N PRO A 80 12.346 -0.415 -0.878 1.00 0.00 N ATOM 1265 CA PRO A 80 13.223 0.373 -0.007 1.00 0.00 C ATOM 1266 C PRO A 80 14.055 1.403 -0.768 1.00 0.00 C ATOM 1267 O PRO A 80 15.066 1.069 -1.384 1.00 0.00 O ATOM 1268 CB PRO A 80 14.125 -0.687 0.619 1.00 0.00 C ATOM 1269 CG PRO A 80 13.277 -1.911 0.674 1.00 0.00 C ATOM 1270 CD PRO A 80 12.358 -1.846 -0.515 1.00 0.00 C ATOM 0 HA PRO A 80 12.655 0.962 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.021 -0.851 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.457 -0.389 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.891 -2.811 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.708 -1.948 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.723 -2.463 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.359 -2.204 -0.267 1.00 0.00 H new ATOM 1278 N ARG A 81 13.613 2.657 -0.721 1.00 0.00 N ATOM 1279 CA ARG A 81 14.312 3.743 -1.392 1.00 0.00 C ATOM 1280 C ARG A 81 15.554 4.161 -0.613 1.00 0.00 C ATOM 1281 O ARG A 81 16.538 4.621 -1.194 1.00 0.00 O ATOM 1282 CB ARG A 81 13.379 4.940 -1.561 1.00 0.00 C ATOM 1283 CG ARG A 81 13.039 5.234 -3.008 1.00 0.00 C ATOM 1284 CD ARG A 81 12.048 6.378 -3.125 1.00 0.00 C ATOM 1285 NE ARG A 81 11.847 6.785 -4.512 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.441 7.999 -4.876 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.198 8.923 -3.956 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.279 8.288 -6.159 1.00 0.00 N ATOM 0 H ARG A 81 12.771 2.944 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 81 14.627 3.388 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.458 4.755 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.845 5.820 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.949 5.483 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.622 4.341 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.094 6.077 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.406 7.229 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 81 12.028 6.099 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.322 8.704 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.887 9.853 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.465 7.580 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.968 9.219 -6.437 1.00 0.00 H new ATOM 1302 N LYS A 82 15.503 3.997 0.704 1.00 0.00 N ATOM 1303 CA LYS A 82 16.623 4.362 1.564 1.00 0.00 C ATOM 1304 C LYS A 82 17.100 3.163 2.377 1.00 0.00 C ATOM 1305 O LYS A 82 16.341 2.227 2.627 1.00 0.00 O ATOM 1306 CB LYS A 82 16.218 5.500 2.503 1.00 0.00 C ATOM 1307 CG LYS A 82 15.576 6.679 1.792 1.00 0.00 C ATOM 1308 CD LYS A 82 15.328 7.836 2.746 1.00 0.00 C ATOM 1309 CE LYS A 82 14.490 8.925 2.099 1.00 0.00 C ATOM 1310 NZ LYS A 82 14.430 10.152 2.938 1.00 0.00 N ATOM 0 H LYS A 82 14.698 3.614 1.200 1.00 0.00 H new ATOM 0 HA LYS A 82 17.444 4.696 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.523 5.114 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.101 5.848 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.221 7.009 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.633 6.366 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.822 7.470 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.282 8.253 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.908 9.173 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.480 8.552 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.719 10.804 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.169 9.895 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.360 10.617 2.941 1.00 0.00 H new ATOM 1324 N ARG A 83 18.367 3.196 2.781 1.00 0.00 N ATOM 1325 CA ARG A 83 18.952 2.117 3.567 1.00 0.00 C ATOM 1326 C ARG A 83 18.919 2.445 5.058 1.00 0.00 C ATOM 1327 O ARG A 83 19.428 3.482 5.483 1.00 0.00 O ATOM 1328 CB ARG A 83 20.393 1.879 3.121 1.00 0.00 C ATOM 1329 CG ARG A 83 20.555 1.841 1.612 1.00 0.00 C ATOM 1330 CD ARG A 83 22.004 2.032 1.203 1.00 0.00 C ATOM 1331 NE ARG A 83 22.555 3.286 1.711 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.766 3.739 1.401 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.551 3.043 0.590 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.193 4.889 1.903 1.00 0.00 N ATOM 0 H ARG A 83 19.009 3.962 2.575 1.00 0.00 H new ATOM 0 HA ARG A 83 18.364 1.214 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.027 2.667 3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.745 0.937 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.191 0.887 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.942 2.621 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.599 1.198 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.079 2.017 0.116 1.00 0.00 H new ATOM 0 HE ARG A 83 21.978 3.846 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.226 2.157 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.479 3.393 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.592 5.427 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.122 5.236 1.665 1.00 0.00 H new ATOM 1348 N GLY A 84 18.322 1.556 5.848 1.00 0.00 N ATOM 1349 CA GLY A 84 18.243 1.774 7.281 1.00 0.00 C ATOM 1350 C GLY A 84 16.883 1.423 7.849 1.00 0.00 C ATOM 1351 O GLY A 84 16.125 0.671 7.237 1.00 0.00 O ATOM 0 H GLY A 84 17.893 0.690 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.006 1.175 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.465 2.819 7.499 1.00 0.00 H new ATOM 1355 N HIS A 85 16.575 1.965 9.022 1.00 0.00 N ATOM 1356 CA HIS A 85 15.296 1.703 9.669 1.00 0.00 C ATOM 1357 C HIS A 85 14.153 2.314 8.871 1.00 0.00 C ATOM 1358 O HIS A 85 14.081 3.532 8.697 1.00 0.00 O ATOM 1359 CB HIS A 85 15.291 2.258 11.093 1.00 0.00 C ATOM 1360 CG HIS A 85 14.027 1.973 11.844 1.00 0.00 C ATOM 1361 ND1 HIS A 85 13.012 2.896 11.985 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.617 0.861 12.497 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.032 2.364 12.694 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.374 1.130 13.016 1.00 0.00 N ATOM 0 H HIS A 85 17.193 2.587 9.543 1.00 0.00 H new ATOM 0 HA HIS A 85 15.155 0.623 9.711 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.133 1.835 11.642 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.445 3.336 11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.165 -0.065 12.592 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.109 2.855 12.964 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.807 0.481 13.562 1.00 0.00 H new ATOM 1373 N HIS A 86 13.262 1.459 8.393 1.00 0.00 N ATOM 1374 CA HIS A 86 12.115 1.898 7.606 1.00 0.00 C ATOM 1375 C HIS A 86 10.903 1.022 7.889 1.00 0.00 C ATOM 1376 O HIS A 86 11.022 -0.014 8.542 1.00 0.00 O ATOM 1377 CB HIS A 86 12.455 1.871 6.116 1.00 0.00 C ATOM 1378 CG HIS A 86 13.559 2.815 5.749 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.496 4.171 5.991 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.764 2.594 5.172 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.613 4.742 5.579 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.398 3.807 5.079 1.00 0.00 N ATOM 0 H HIS A 86 13.310 0.450 8.537 1.00 0.00 H new ATOM 0 HA HIS A 86 11.872 2.921 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.742 0.858 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.564 2.122 5.541 1.00 0.00 H new ATOM 0 HD1 HIS A 86 12.709 4.657 6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.153 1.641 4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.845 5.795 5.641 1.00 0.00 H new ATOM 1391 N THR A 87 9.738 1.435 7.395 1.00 0.00 N ATOM 1392 CA THR A 87 8.514 0.677 7.622 1.00 0.00 C ATOM 1393 C THR A 87 7.415 1.044 6.627 1.00 0.00 C ATOM 1394 O THR A 87 7.445 2.109 6.010 1.00 0.00 O ATOM 1395 CB THR A 87 7.982 0.912 9.049 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.997 0.604 10.009 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.749 0.063 9.319 1.00 0.00 C ATOM 0 H THR A 87 9.618 2.282 6.840 1.00 0.00 H new ATOM 0 HA THR A 87 8.773 -0.373 7.485 1.00 0.00 H new ATOM 0 HB THR A 87 7.705 1.963 9.137 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.747 -0.206 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.394 0.248 10.333 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.965 0.323 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.002 -0.992 9.210 1.00 0.00 H new ATOM 1405 N LEU A 88 6.449 0.142 6.483 1.00 0.00 N ATOM 1406 CA LEU A 88 5.314 0.346 5.595 1.00 0.00 C ATOM 1407 C LEU A 88 4.025 0.326 6.406 1.00 0.00 C ATOM 1408 O LEU A 88 3.456 -0.734 6.665 1.00 0.00 O ATOM 1409 CB LEU A 88 5.275 -0.738 4.520 1.00 0.00 C ATOM 1410 CG LEU A 88 3.943 -0.875 3.779 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.812 0.201 2.716 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.818 -2.258 3.163 1.00 0.00 C ATOM 0 H LEU A 88 6.433 -0.749 6.979 1.00 0.00 H new ATOM 0 HA LEU A 88 5.417 1.313 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.058 -0.532 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.515 -1.695 4.983 1.00 0.00 H new ATOM 0 HG LEU A 88 3.133 -0.746 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.859 0.088 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.856 1.184 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.627 0.105 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.865 -2.339 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.634 -2.417 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.865 -3.012 3.949 1.00 0.00 H new ATOM 1424 N GLU A 89 3.582 1.502 6.820 1.00 0.00 N ATOM 1425 CA GLU A 89 2.376 1.624 7.618 1.00 0.00 C ATOM 1426 C GLU A 89 1.113 1.377 6.806 1.00 0.00 C ATOM 1427 O GLU A 89 0.611 2.279 6.143 1.00 0.00 O ATOM 1428 CB GLU A 89 2.316 3.009 8.248 1.00 0.00 C ATOM 1429 CG GLU A 89 3.378 3.228 9.304 1.00 0.00 C ATOM 1430 CD GLU A 89 3.385 4.644 9.846 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.099 5.494 9.274 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.678 4.903 10.842 1.00 0.00 O ATOM 0 H GLU A 89 4.043 2.388 6.615 1.00 0.00 H new ATOM 0 HA GLU A 89 2.420 0.858 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.428 3.762 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.333 3.156 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.216 2.530 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.357 3.001 8.881 1.00 0.00 H new ATOM 1439 N LEU A 90 0.610 0.148 6.853 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.625 -0.192 6.155 1.00 0.00 C ATOM 1441 C LEU A 90 -1.736 -0.388 7.172 1.00 0.00 C ATOM 1442 O LEU A 90 -1.678 -1.295 8.004 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.470 -1.447 5.294 1.00 0.00 C ATOM 1444 CG LEU A 90 0.335 -1.259 4.008 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.439 -2.575 3.252 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.298 -0.187 3.130 1.00 0.00 C ATOM 0 H LEU A 90 1.035 -0.625 7.364 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.873 0.630 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.008 -2.222 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.463 -1.813 5.032 1.00 0.00 H new ATOM 0 HG LEU A 90 1.340 -0.932 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.015 -2.425 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.937 -3.316 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.560 -2.928 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.290 -0.068 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.314 -0.483 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.323 0.759 3.671 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.742 0.470 7.109 1.00 0.00 N ATOM 1459 CA VAL A 91 -3.850 0.409 8.045 1.00 0.00 C ATOM 1460 C VAL A 91 -5.185 0.188 7.333 1.00 0.00 C ATOM 1461 O VAL A 91 -5.329 0.482 6.140 1.00 0.00 O ATOM 1462 CB VAL A 91 -3.925 1.712 8.867 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.159 2.903 7.948 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.000 1.626 9.940 1.00 0.00 C ATOM 0 H VAL A 91 -2.813 1.217 6.418 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.669 -0.439 8.705 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.970 1.852 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.210 3.816 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.338 2.979 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.097 2.768 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.028 2.559 10.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.969 1.455 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.774 0.802 10.616 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.150 -0.342 8.081 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.488 -0.594 7.563 1.00 0.00 C ATOM 1476 C TYR A 92 -8.397 0.579 7.926 1.00 0.00 C ATOM 1477 O TYR A 92 -9.167 0.510 8.882 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.035 -1.899 8.150 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.232 -2.466 7.418 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.253 -2.545 6.031 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.339 -2.931 8.118 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.343 -3.069 5.362 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.432 -3.458 7.456 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.430 -3.523 6.079 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.516 -4.046 5.417 1.00 0.00 O ATOM 0 H TYR A 92 -6.025 -0.607 9.058 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.451 -0.693 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.239 -2.644 8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.310 -1.727 9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.403 -2.191 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.345 -2.880 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.343 -3.123 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.284 -3.817 8.015 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.195 -4.321 6.068 1.00 0.00 H new ATOM 1495 N THR A 93 -8.292 1.659 7.153 1.00 0.00 N ATOM 1496 CA THR A 93 -9.065 2.874 7.413 1.00 0.00 C ATOM 1497 C THR A 93 -10.171 3.100 6.391 1.00 0.00 C ATOM 1498 O THR A 93 -10.039 2.722 5.235 1.00 0.00 O ATOM 1499 CB THR A 93 -8.153 4.105 7.387 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.931 5.290 7.590 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.421 4.192 6.055 1.00 0.00 C ATOM 0 H THR A 93 -7.678 1.718 6.340 1.00 0.00 H new ATOM 0 HA THR A 93 -9.516 2.736 8.396 1.00 0.00 H new ATOM 0 HB THR A 93 -7.418 4.014 8.187 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.299 5.590 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.777 5.071 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.815 3.297 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.147 4.270 5.245 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.246 3.753 6.830 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.375 4.057 5.958 1.00 0.00 C ATOM 1511 C ARG A 94 -12.210 5.437 5.315 1.00 0.00 C ATOM 1512 O ARG A 94 -12.432 6.457 5.965 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.687 4.019 6.746 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.487 2.745 6.537 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.800 2.777 7.302 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.679 3.846 6.836 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.931 4.006 7.254 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.447 3.172 8.147 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.668 5.002 6.781 1.00 0.00 N ATOM 0 H ARG A 94 -11.357 4.082 7.789 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.403 3.301 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.466 4.129 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.299 4.874 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.688 2.611 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.897 1.887 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.306 1.818 7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.597 2.912 8.364 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.312 4.507 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.883 2.406 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.408 3.297 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.275 5.647 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.628 5.123 7.103 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.808 5.486 4.031 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.621 6.751 3.308 1.00 0.00 C ATOM 1535 C PRO A 95 -12.871 7.625 3.331 1.00 0.00 C ATOM 1536 O PRO A 95 -12.785 8.852 3.309 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.314 6.302 1.876 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.766 4.926 2.023 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.492 4.321 3.187 1.00 0.00 C ATOM 0 HA PRO A 95 -10.837 7.361 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.212 6.307 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.594 6.966 1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.925 4.342 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.691 4.950 2.202 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.394 3.797 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.872 3.597 3.716 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.029 6.979 3.376 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.299 7.674 3.399 1.00 0.00 C ATOM 1549 C PHE A 96 -15.465 8.492 4.677 1.00 0.00 C ATOM 1550 O PHE A 96 -16.205 9.477 4.701 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.425 6.654 3.273 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.373 5.856 2.001 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.536 4.757 1.889 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.160 6.206 0.915 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.484 4.024 0.719 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.114 5.476 -0.257 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.274 4.384 -0.356 1.00 0.00 C ATOM 0 H PHE A 96 -14.109 5.962 3.397 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.333 8.370 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.383 5.972 4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.382 7.173 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.917 4.470 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.817 7.060 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.826 3.170 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.734 5.759 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.235 3.813 -1.272 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.774 8.083 5.736 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.852 8.779 7.017 1.00 0.00 C ATOM 1569 C GLU A 97 -13.473 9.242 7.481 1.00 0.00 C ATOM 1570 O GLU A 97 -13.143 10.425 7.398 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.477 7.872 8.078 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.904 7.454 7.761 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.860 8.629 7.712 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.378 9.018 8.781 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.093 9.160 6.606 1.00 0.00 O ATOM 0 H GLU A 97 -14.154 7.273 5.733 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.481 9.659 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.862 6.979 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.464 8.388 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.922 6.936 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.246 6.744 8.514 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.673 8.298 7.969 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.342 8.622 8.449 1.00 0.00 C ATOM 1584 C GLY A 98 -10.653 7.435 9.077 1.00 0.00 C ATOM 1585 O GLY A 98 -11.165 6.316 9.044 1.00 0.00 O ATOM 0 H GLY A 98 -12.924 7.312 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.739 8.992 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.408 9.429 9.179 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.488 7.684 9.653 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.708 6.635 10.284 1.00 0.00 C ATOM 1591 C ILE A 99 -8.944 6.605 11.790 1.00 0.00 C ATOM 1592 O ILE A 99 -9.034 7.650 12.436 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.212 6.833 10.005 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.004 7.287 8.556 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.452 5.544 10.281 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.636 7.877 8.296 1.00 0.00 C ATOM 0 H ILE A 99 -9.061 8.609 9.696 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.031 5.684 9.860 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.825 7.607 10.668 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.155 6.436 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.763 8.027 8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.392 5.697 10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.586 5.259 11.325 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.833 4.752 9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.561 8.176 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.488 8.748 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.871 7.133 8.516 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.044 5.400 12.344 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.281 5.232 13.774 1.00 0.00 C ATOM 1610 C LYS A 100 -8.320 4.200 14.365 1.00 0.00 C ATOM 1611 O LYS A 100 -7.661 3.466 13.629 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.731 4.803 14.014 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.707 5.361 12.992 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.131 4.918 13.284 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.079 6.105 13.336 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.475 5.688 13.647 1.00 0.00 N ATOM 0 H LYS A 100 -8.965 4.526 11.824 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.104 6.186 14.270 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.786 3.714 14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.036 5.125 15.010 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.656 6.450 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.419 5.031 11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.462 4.219 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.161 4.384 14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.735 6.812 14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.061 6.627 12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.090 6.526 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.813 5.033 12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.498 5.213 14.572 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.226 4.129 15.708 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.339 3.186 16.393 1.00 0.00 C ATOM 1632 C PRO A 101 -7.854 1.752 16.325 1.00 0.00 C ATOM 1633 O PRO A 101 -7.082 0.815 16.120 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.328 3.679 17.851 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.038 4.993 17.843 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.965 4.958 16.666 1.00 0.00 C ATOM 0 HA PRO A 101 -6.351 3.161 15.934 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.829 2.968 18.508 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.308 3.788 18.219 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.591 5.143 18.770 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.330 5.818 17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.930 4.521 16.922 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.161 5.956 16.273 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.163 1.588 16.497 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.783 0.268 16.452 1.00 0.00 C ATOM 1646 C GLU A 102 -9.554 -0.402 15.101 1.00 0.00 C ATOM 1647 O GLU A 102 -9.700 -1.617 14.965 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.278 0.376 16.735 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.968 1.387 15.848 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.451 1.508 16.138 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.240 0.767 15.515 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.825 2.344 16.988 1.00 0.00 O ATOM 0 H GLU A 102 -9.815 2.354 16.669 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.318 -0.348 17.221 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.742 -0.600 16.595 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.427 0.653 17.779 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.496 2.361 15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.828 1.103 14.805 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.195 0.401 14.105 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.941 -0.105 12.761 1.00 0.00 C ATOM 1661 C ASN A 103 -7.796 -1.110 12.765 1.00 0.00 C ATOM 1662 O ASN A 103 -6.869 -1.006 13.569 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.608 1.055 11.819 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.803 1.945 11.530 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.839 2.638 10.514 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.792 1.927 12.416 1.00 0.00 N ATOM 0 H ASN A 103 -9.073 1.409 14.204 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.842 -0.609 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.812 1.656 12.259 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.224 0.655 10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.621 2.502 12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.723 1.338 13.246 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.865 -2.086 11.864 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.837 -3.102 11.758 1.00 0.00 C ATOM 1675 C GLU A 104 -5.487 -2.476 11.418 1.00 0.00 C ATOM 1676 O GLU A 104 -5.411 -1.303 11.055 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.230 -4.125 10.704 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.830 -5.389 11.293 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.251 -5.185 11.785 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.424 -4.820 12.966 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -10.189 -5.392 10.988 1.00 0.00 O ATOM 0 H GLU A 104 -8.629 -2.190 11.196 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.742 -3.603 12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.948 -3.674 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.351 -4.388 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.820 -6.177 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.208 -5.731 12.121 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.428 -3.270 11.531 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.080 -2.788 11.257 1.00 0.00 C ATOM 1690 C ARG A 105 -2.321 -3.744 10.340 1.00 0.00 C ATOM 1691 O ARG A 105 -2.738 -4.881 10.128 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.317 -2.624 12.580 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.895 -2.102 12.427 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.879 -0.587 12.383 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.289 -0.015 13.659 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.335 1.292 13.903 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.000 2.159 12.957 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.719 1.733 15.094 1.00 0.00 N ATOM 0 H ARG A 105 -4.477 -4.250 11.810 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.158 -1.826 10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.873 -1.943 13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.284 -3.588 13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.283 -2.453 13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.453 -2.501 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.123 -0.239 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.545 -0.237 11.594 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.556 -0.653 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.706 1.824 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.036 3.160 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.979 1.070 15.824 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.754 2.735 15.280 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.226 -3.246 9.774 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.347 -4.030 8.915 1.00 0.00 C ATOM 1714 C TYR A 106 0.904 -3.214 8.610 1.00 0.00 C ATOM 1715 O TYR A 106 1.144 -2.804 7.476 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.056 -4.458 7.629 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.302 -5.494 6.835 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.464 -6.841 7.111 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.562 -5.131 5.813 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.213 -7.803 6.393 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.245 -6.086 5.087 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.068 -7.422 5.381 1.00 0.00 C ATOM 1723 OH TYR A 106 1.746 -8.378 4.662 1.00 0.00 O ATOM 0 H TYR A 106 -0.922 -2.280 9.900 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.064 -4.945 9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.040 -4.853 7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.216 -3.580 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.133 -7.143 7.903 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.703 -4.086 5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.074 -8.849 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.914 -5.789 4.293 1.00 0.00 H new ATOM 0 HH TYR A 106 1.213 -9.200 4.627 1.00 0.00 H new ATOM 1733 N THR A 107 1.689 -2.967 9.654 1.00 0.00 N ATOM 1734 CA THR A 107 2.909 -2.185 9.533 1.00 0.00 C ATOM 1735 C THR A 107 4.095 -3.055 9.137 1.00 0.00 C ATOM 1736 O THR A 107 4.775 -3.620 9.993 1.00 0.00 O ATOM 1737 CB THR A 107 3.239 -1.469 10.855 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.139 -1.590 11.765 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.539 0.002 10.616 1.00 0.00 C ATOM 0 H THR A 107 1.498 -3.301 10.599 1.00 0.00 H new ATOM 0 HA THR A 107 2.732 -1.447 8.751 1.00 0.00 H new ATOM 0 HB THR A 107 4.123 -1.940 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.357 -1.134 12.604 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.769 0.485 11.565 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.393 0.095 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.670 0.482 10.166 1.00 0.00 H new ATOM 1747 N LEU A 108 4.338 -3.162 7.837 1.00 0.00 N ATOM 1748 CA LEU A 108 5.453 -3.956 7.343 1.00 0.00 C ATOM 1749 C LEU A 108 6.775 -3.270 7.668 1.00 0.00 C ATOM 1750 O LEU A 108 7.271 -2.449 6.897 1.00 0.00 O ATOM 1751 CB LEU A 108 5.326 -4.186 5.834 1.00 0.00 C ATOM 1752 CG LEU A 108 6.599 -4.674 5.134 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.100 -5.962 5.768 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.347 -4.871 3.649 1.00 0.00 C ATOM 0 H LEU A 108 3.781 -2.712 7.110 1.00 0.00 H new ATOM 0 HA LEU A 108 5.432 -4.926 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.534 -4.914 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.010 -3.253 5.367 1.00 0.00 H new ATOM 0 HG LEU A 108 7.370 -3.913 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.004 -6.292 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.322 -5.787 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.333 -6.732 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.261 -5.218 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.560 -5.612 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.039 -3.925 3.204 1.00 0.00 H new ATOM 1766 N HIS A 109 7.334 -3.607 8.823 1.00 0.00 N ATOM 1767 CA HIS A 109 8.595 -3.025 9.256 1.00 0.00 C ATOM 1768 C HIS A 109 9.763 -3.666 8.522 1.00 0.00 C ATOM 1769 O HIS A 109 9.796 -4.880 8.317 1.00 0.00 O ATOM 1770 CB HIS A 109 8.758 -3.162 10.762 1.00 0.00 C ATOM 1771 CG HIS A 109 8.022 -2.113 11.536 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.629 -0.979 12.033 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.716 -2.023 11.886 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.730 -0.237 12.655 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.562 -0.848 12.579 1.00 0.00 N ATOM 0 H HIS A 109 6.933 -4.280 9.476 1.00 0.00 H new ATOM 0 HA HIS A 109 8.585 -1.963 9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.405 -4.146 11.071 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.818 -3.111 11.012 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.941 -2.741 11.662 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.918 0.708 13.142 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.686 -0.503 12.972 1.00 0.00 H new ATOM 1784 N LEU A 110 10.726 -2.837 8.153 1.00 0.00 N ATOM 1785 CA LEU A 110 11.888 -3.284 7.399 1.00 0.00 C ATOM 1786 C LEU A 110 13.151 -2.539 7.813 1.00 0.00 C ATOM 1787 O LEU A 110 13.303 -1.353 7.518 1.00 0.00 O ATOM 1788 CB LEU A 110 11.650 -3.057 5.902 1.00 0.00 C ATOM 1789 CG LEU A 110 10.486 -3.843 5.293 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.293 -3.458 3.834 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.715 -5.341 5.425 1.00 0.00 C ATOM 0 H LEU A 110 10.726 -1.839 8.366 1.00 0.00 H new ATOM 0 HA LEU A 110 12.028 -4.344 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.474 -1.994 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.562 -3.316 5.364 1.00 0.00 H new ATOM 0 HG LEU A 110 9.579 -3.590 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.462 -4.025 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.076 -2.392 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.202 -3.681 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.874 -5.878 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.633 -5.616 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.802 -5.604 6.479 1.00 0.00 H new ATOM 1803 N ASN A 111 14.051 -3.231 8.499 1.00 0.00 N ATOM 1804 CA ASN A 111 15.313 -2.633 8.903 1.00 0.00 C ATOM 1805 C ASN A 111 16.288 -2.747 7.740 1.00 0.00 C ATOM 1806 O ASN A 111 17.332 -3.393 7.837 1.00 0.00 O ATOM 1807 CB ASN A 111 15.869 -3.325 10.150 1.00 0.00 C ATOM 1808 CG ASN A 111 17.106 -2.639 10.695 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.011 -1.704 11.491 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.277 -3.103 10.273 1.00 0.00 N ATOM 0 H ASN A 111 13.930 -4.202 8.786 1.00 0.00 H new ATOM 0 HA ASN A 111 15.161 -1.584 9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.100 -3.347 10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.109 -4.361 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.143 -2.682 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.310 -3.880 9.613 1.00 0.00 H new ATOM 1817 N VAL A 112 15.910 -2.116 6.632 1.00 0.00 N ATOM 1818 CA VAL A 112 16.692 -2.140 5.402 1.00 0.00 C ATOM 1819 C VAL A 112 18.188 -2.016 5.675 1.00 0.00 C ATOM 1820 O VAL A 112 18.612 -1.258 6.546 1.00 0.00 O ATOM 1821 CB VAL A 112 16.262 -1.007 4.449 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.722 -1.302 3.034 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.754 -0.805 4.493 1.00 0.00 C ATOM 0 H VAL A 112 15.050 -1.572 6.563 1.00 0.00 H new ATOM 0 HA VAL A 112 16.501 -3.105 4.933 1.00 0.00 H new ATOM 0 HB VAL A 112 16.736 -0.083 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.410 -0.493 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.808 -1.388 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.278 -2.238 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.475 -0.001 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.255 -1.726 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.451 -0.544 5.507 1.00 0.00 H new ATOM 1833 N LYS A 113 18.980 -2.771 4.919 1.00 0.00 N ATOM 1834 CA LYS A 113 20.429 -2.754 5.069 1.00 0.00 C ATOM 1835 C LYS A 113 21.032 -1.514 4.415 1.00 0.00 C ATOM 1836 O LYS A 113 21.254 -0.517 5.133 1.00 0.00 O ATOM 1837 CB LYS A 113 21.033 -4.018 4.454 1.00 0.00 C ATOM 1838 CG LYS A 113 20.624 -5.293 5.171 1.00 0.00 C ATOM 1839 CD LYS A 113 21.235 -5.369 6.561 1.00 0.00 C ATOM 1840 CE LYS A 113 20.770 -6.609 7.307 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.144 -7.861 6.593 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.277 -1.551 3.191 1.00 0.00 O ATOM 0 H LYS A 113 18.640 -3.404 4.195 1.00 0.00 H new ATOM 0 HA LYS A 113 20.662 -2.725 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.731 -4.085 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.120 -3.936 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.538 -5.337 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.938 -6.158 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.322 -5.377 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.963 -4.479 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.207 -6.617 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.688 -6.572 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.963 -8.679 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.577 -7.948 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.154 -7.831 6.346 1.00 0.00 H new TER 1856 LYS A 113